Basic information
- CAS
88580-86-3- Standard SMILES
C=C(C)C1CC(O)C2(C)CC(=O)OC2C1- InChIKey
OCZQJFJNWTYDNP-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- Benzofuran-2(3H)-one, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)-, (3aS-(3a-alpha,4-alpha,6-alpha,7a-alpha))-
- IUPAC
- 4-hydroxy-3a-methyl-6-prop-1-en-2-yl-3,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Names & synonyms
88580-86-3Benzofuran-2(3H)-one, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)-, (3aS-(3a-alpha,4-alpha,6-alpha,7a-alpha))-RefChem:1078898(3aS,4R,6S,7aR)-hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)benzofuran-2(3H)-one2-(1(S)-Methyl-2(R)-hydroxy-4(S)-isopropenyl-6(R)-hydroxycyclohexyl)acetic acid-gamma-lactoneDTXSID5010082444-Hydroxy-3a-methyl-6-(prop-1-en-2-yl)hexahydro-1-benzofuran-2(3H)-one
Database identifiers
- CAS
88580-86-3- PubChem CID
- 55836
- DTXSID
DTXSID501008244
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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