Record Information
Version1.0
Creation Date2016-05-22 04:32:59 UTC
Update Date2026-08-23 01:58:56 UTC
Accession NumberCHEM017693
Identification
Common Name3,4-Dihydro-2H-pyran
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
3,4-DihydropyranMeSH
Chemical FormulaC5H8O
Average Molecular Mass84.118 g/mol
Monoisotopic Mass84.058 g/mol
CAS Registry Number110-87-2
IUPAC Name3,4-dihydro-2H-pyran
Traditional Namedihydropyran
SMILESC1COC=CC1
InChI IdentifierInChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
InChI KeyBUDQDWGNQVEFAC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxacyclic compounds. These are organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassOxacyclic compounds
Sub ClassNot Available
Direct ParentOxacyclic compounds
Alternative Parents
Substituents
  • Oxacycle
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility10.9 g/LALOGPS
logP1.4ALOGPS
logP0.99ChemAxon
logS-0.89ALOGPS
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity25.25 m³·mol⁻¹ChemAxon
Polarizability9.24 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID8080
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References