3-[4-(2-methylpropyl)cyclohexyl]propanal (CED0241492)

Record Information
Version1.0
Creation Date2026-08-28 03:21:30 UTC
Update Date2026-08-28 03:21:30 UTC
Accession NumberCHEM285703
Identification
Common Name3-[4-(2-methylpropyl)cyclohexyl]propanal
ClassSmall Molecule
Description
3-[4-(2-methylpropyl)cyclohexyl]propanal belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C13H24O and an average molecular weight of 196.33 g/mol. It is further classified as an organic oxygen compound and an organooxygen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H24O
Average Molecular MassNot Available
Monoisotopic Mass196.183 g/mol
CAS Registry Number1254940-85-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)CC1CCC(CC1)CCC=O
InChI IdentifierInChI=1S/C13H24O/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-14/h9,11-13H,3-8,10H2,1-2H3
InChI KeyXUTZHJNXAOHUTM-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5716.0Log mg/kg[3200:10000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)1.55698
HTH-type quorum-sensing regulator RhlR structureClick to view 3D structureHTH-type quorum-sensing regulator RhlRP54292Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)26.2352
Alcohol dehydrogenase 1A structureClick to view 3D structureAlcohol dehydrogenase 1AP07327HumansPredicted (SEA)2.88042
All-trans-retinol dehydrogenase [NAD(+)] ADH1B structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH1BP00325HumansPredicted (SEA)1.08989
Alcohol dehydrogenase 1C structureClick to view 3D structureAlcohol dehydrogenase 1CP00326HumansPredicted (SEA)0.778492
Secretory phospholipase A2 receptor structureClick to view 3D structureSecretory phospholipase A2 receptorQ13018HumansPredicted (SEA)3.11397
Dipeptidase 1 structureClick to view 3D structureDipeptidase 1P16444HumansPredicted (SEA)150.638
Peptide deformylase structureClick to view 3D structurePeptide deformylaseQ9F2F0Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)Predicted (SEA)75.2802
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)5354.47
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)5806.38
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)5368.02
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)6528.44
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)6116.85
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)5589.11
Click to view 3D structurePotassium voltage-gated channel subfamily KQT member 4Q9JK96Rattus norvegicusPredicted (SEA)454.951
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)5742.16
Click to view 3D structureSodium- and chloride-dependent betaine transporterP48065HumansPredicted (SEA)31.1397
A disintegrin and metalloproteinase with thrombospondin motifs 4 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 4O75173HumansPredicted (SEA)4758.14
Click to view 3D structureO-acyltransferaseA0A8I3N393Canis lupus familiarisPredicted (SEA)512.871
Bile salt-activated lipase structureClick to view 3D structureBile salt-activated lipaseP19835HumansPredicted (SEA)157.8
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)6555.99
Renin structureClick to view 3D structureReninP00797HumansPredicted (SEA)3704.38
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7693.37
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)7539.15
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7463.48
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available