Basic information
- CAS
73019-81-5- Standard SMILES
CC1(C)C[C@H]2C[C@@]2(C)C2=CC(=O)[C@@]3(C)O[C@@]23C1- InChIKey
MPKJWXWMWZURIW-MOZUYYIMSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
Names & identifiers
- Preferred name
- (1S,5S,7R,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodec-8-en-10-one
- IUPAC
- (1S,5S,7R,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodec-8-en-10-one
- English name
- (1aS)-4aα,5α-Epoxy-1aβ,2,3,4,4a,7b-hexahydro-3,3,5,7bβ-tetramethyl-1H-cyclopropa[e]azulene-6(5H)-one
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
CHEMBL476924Caespitenone(1aS,8aS)-1aβ,4,7,7-Tetramethyl-5,6,7,8-tetrahydro-4α,5α-methano-1aH-azuleno[1,8a-b]oxiren-2(4H)-one(1aS)-4aα,5α-Epoxy-1aβ,2,3,4,4a,7b-hexahydro-3,3,5,7bβ-tetramethyl-1H-cyclopropa[e]azulene-6(5H)-oneCycloprop[4,5]azuleno[1,8a-b]oxiren-2(2aH)-one, 4,5,6,6a,7,7a-hexahydro-2a,5,5,7a-tetramethyl-, (2aS,3aS,6aS,7aR)-
Database identifiers
- CAS
73019-81-5- ChEMBL
CHEMBL476924- Nikkaji
- J617.671B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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