Basic information
- CAS
53022-14-3- Standard SMILES
CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C- InChIKey
MPYYVGIJHREDBO-XUJVJEKNSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- Bornyl isovalerate, D-
- IUPAC
- [(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
Names & synonyms
d-bornyl isovalerateBornyl isovalerate, D-D-Bornyl isovalerate [MI]Isovaleric acid D-bornyl esterUNII-NUZ9YO009KNUZ9YO009KButanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, (1R-endo)-DTXSID108616241,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoic acid1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoic acidBORNYL isovaleric acidRefChem:199958
Show more names
DTXCID20101180253022-14-3MPYYVGIJHREDBO-XUJVJEKNSA-NRel-(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoateQ27285061(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate
Database identifiers
- CAS
53022-14-3- PubChem CID
- 20111969
- DTXSID
DTXSID10861624- UNII
- NUZ9YO009K
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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