(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2-methylpropanoate
Basic information
- CAS
149817-99-2- Standard SMILES
CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C- InChIKey
KRKIAJBQOUBNSE-COPLHBTASA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Names & identifiers
- Preferred name
- (1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2-methylpropanoate
- IUPAC
- [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
Names & synonyms
SCHEMBL17627632DTXSID301160044NS00092217(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2-methylpropanoate149817-99-2
Database identifiers
- CAS
149817-99-2、85586-67-0- PubChem CID
- 11264589
- DTXSID
DTXSID301160044- Nikkaji
- J331.067A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…