(1S,2R,4S)-1,7,7-Trimethyl-5-oxobicyclo[2.2.1]heptan-2-yl acetate
Basic information
- CAS
10293-01-3- Standard SMILES
CC(=O)O[C@@H]1C[C@@H]2C(=O)C[C@@]1(C)C2(C)C- InChIKey
LJJDMLPORNJBCT-HLUHBDAQSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- (1S,2R,4S)-1,7,7-Trimethyl-5-oxobicyclo[2.2.1]heptan-2-yl acetate
- IUPAC
- [(1S,2R,4S)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate
Names & synonyms
10293-01-3(1S,2R,4S)-1,7,7-Trimethyl-5-oxobicyclo[2.2.1]heptan-2-yl acetateDTXSID10610972
Database identifiers
- CAS
10293-01-3- PubChem CID
- 21140232
- DTXSID
DTXSID10610972- Nikkaji
- J508.393A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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