Basic information
- CAS
276885-74-6- Standard SMILES
CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C- InChIKey
MPYYVGIJHREDBO-UHFFFAOYSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Overview
Isobornyl isovalerate has been reported in Artemisia salsoloides with data available.
Names & identifiers
- Preferred name
- 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate
- IUPAC
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylbutanoate
Names & synonyms
DTXSID808735771,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate276885-74-61,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoateRefChem:1053553DTXCID80224227Bornyval3-methylbutanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) esterisobornyl-3-methylbutanoateSCHEMBL309489(-)-Bornyl isovalerate, >=97%NS00012670
Show more names
NS00113993NS001139941,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate #exo-3-methyl-1,7,7-trimethylbicyclo[2,2,1]hept-2-yl butanoate
Database identifiers
- CAS
276885-74-6- PubChem CID
- 60968
- DTXSID
DTXSID80873577- Nikkaji
- J74.696G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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