AromaDb: A Database of Plant's Aroma Molecules

1,7-Dicyclopentyl-4-N-Octylheptane Details

: IUPAC Name
4-(3-cyclopentylpropyl)dodecylcyclopentane
:Chemical Class
:CAS Registry Number
7225-68-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID294711
Molecular Weight (mg/mol)348.649
Molecular FormulaC25H48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
IUPAC Name4-(3-cyclopentylpropyl)dodecylcyclopentane
Canonical SMILESCCCCCCCCC(CCCC1CCCC1)CCCC2CCCC2
PUBCHEM IUPAC INCHIKEYZMXUNXRABSSJDU-UHFFFAOYSA-N
Solubility Level0
Vapour Pressure-5.664

Absorption and Metabolism information

XLOGP3 AA12.5
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP9810.42
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD509.69958 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Severe
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 7225-68-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7225-68-5 1,7-Dicyclopentyl-4-N-Octylheptane

Compound Image


2D Structure

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