1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
Basic information
- CAS
14481-55-1- Standard SMILES
CCCCC(=O)OC(C)(C)C1CC=C(C)CC1- InChIKey
GIHNOWFSKYCHNL-UHFFFAOYSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl pentanoate
- English name
- 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
- Molecular formula
- C15H26O2
- Molecular weight
- 238.37
Names & synonyms
Terpinyl valerate14481-55-11-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate2-(4-methylcyclohex-3-en-1-yl)propan-2-yl pentanoatealpha-Terpinyl pentanoateTerpenyl pentanoateValeric acid, p-menth-1-en-8-yl esterEINECS 238-477-4SCHEMBL3504963DTXSID00932418p-menth-1-en-8-yl n-pentanoateNS00054160
Show more names
Pentanoic acid 1-methyl-1-(4-methyl-3-cyclohexenyl)ethyl esterPentanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
Database identifiers
- CAS
14481-55-1- PubChem CID
- 85741
- DTXSID
DTXSID00932418- EC Number
- 238-477-4
- Nikkaji
- J217.032I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
Boiling Point295.00 to 296.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Odor
- 100 % · at 100.00 %. fruity floral
- Odor Type
- floral
- LogP
- 5.264 · 5.264 (est)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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