Basic information
- CAS
83454-04-0- Standard SMILES
CC1(CO)CCCC2(C)C(C=O)C3CCC2C31- InChIKey
LKZRUFUJHRFLEY-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Overview
metabolite of longifolene in mammals; structure given in first source
Names & identifiers
- Preferred name
- Hydroxyisolongifolaldehyde
- IUPAC
- 3-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde
- English name
- hydroxyisolongifolaldehyde
- Molecular formula
- C15H24O2
- Molecular weight
- 236.34986
Names & synonyms
Hydroxyisolongifolaldehyde1,4-Methanoazulene-9-carboxaldehyde, decahydro-8-(hydroxymethyl)-4,8-dimethyl-83454-04-0RefChem:147194DTXSID4010034413-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde8-(Hydroxymethyl)-4,8-dimethyldecahydro-1,4-methanoazulene-9-carbaldehyde
Database identifiers
- CAS
83454-04-0- PubChem CID
- 134232
- DTXSID
DTXSID401003441
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- LogP
- 2.881 · 2.881 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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