(Z)-Cyclooctene (CED0046321)

Record Information

Version

1.0

Creation Date

2016-05-19 04:53:48 UTC

Update Date

2026-08-24 14:45:49 UTC

Accession Number

CHEM015548

Identification

Common Name

(Z)-Cyclooctene

Class

Small Molecule

Description

(Z)-Cyclooctene is an organic compound with the formula C8H14 and an average molecular weight of 110.20 g/mol. (Z)-Cyclooctene belongs to the olefins, a subclass of unsaturated hydrocarbons within the organic compounds. This compound has been identified in or released from nine recorded sources. These sources include electrical and electronic equipment, specifically magnets, antennas, power cables, superconducting magnets, and superconducting coils, as well as emergency protective devices. Within the building and construction sector, it is associated with ladders. Additionally, it is found in drinking water and water supply systems, and in food, cookware, and food processing activities involving the processing of meats and fish. The recorded exposure route for (Z)-Cyclooctene is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₄

Average Molecular Mass

110.200 g/mol

Monoisotopic Mass

110.110 g/mol

CAS Registry Number

931-87-3

IUPAC Name

(Z)-cyclooctene

Traditional Name

cyclooctene

SMILES

[H]\C1=C([H])\CCCCCC1

InChI Identifier

InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-

InChI Key

URYYVOIYTNXXBN-UPHRSURJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Olefins

Direct Parent

Cycloalkenes

Alternative Parents

Unsaturated aliphatic hydrocarbons

Substituents

Cycloalkene
Unsaturated aliphatic hydrocarbon
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.011 g/L	ALOGPS
logP	3.98	ALOGPS
logP	3.19	ChemAxon
logS	-4	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	37.92 m³·mol⁻¹	ChemAxon
Polarizability	14.05 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0900000000-e33ab36d6cffb9d3183c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1900000000-2673c3ff1bcec4abdd16	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0k96-9000000000-69493bf1512823bfb829	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-48a52afcaecf6bc47e4c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-48a52afcaecf6bc47e4c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9400000000-e206558fe8287e4cf6c0	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1454.0	Log mg/kg	[820:2600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
498	Ladders	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Camphor 5-monooxygenase	P00183	Pseudomonas putida	Predicted (SEA)	269.28
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	7742.57
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	7597.15
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	7631.71
Click to view 3D structure	Histamine H3 receptor	Q9QYN8	Rattus norvegicus	Predicted (SEA)	7577.38
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	7774.02
Click to view 3D structure	Acetylcholinesterase	P37136	Rattus norvegicus	Predicted (SEA)	7602.13
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	7746.78
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	7781.26
Click to view 3D structure	Histamine H4 receptor	Q9H3N8	Humans	Predicted (SEA)	7764.68
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH4	P08319	Humans	Predicted (SEA)	301.744
Click to view 3D structure	Choline trimethylamine-lyase	Q30W70	Desulfovibrio alaskensis	Predicted (SEA)	298.396
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7778.69
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2C	Q00961	Rattus norvegicus	Predicted (SEA)	7438.42
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	7779.01
Click to view 3D structure	Bile salt-activated lipase	P19835	Humans	Predicted (SEA)	2251.17
Click to view 3D structure	Secreted mono- and diacylglycerol lipase LIP1	A8PUY1	Malassezia globosa (strain ATCC MYA-4612 / CBS 7966)(Dandruff-associated fungus)	Predicted (SEA)	3044.37
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	7780.02
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	7775.81
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	7781.42
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	Humans	Predicted (SEA)	7771.38
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	7775.81
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	7778.77
Click to view 3D structure	Vascular endothelial growth factor receptor 3	P35916	Humans	Predicted (SEA)	7779.16
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7782.04