methyl 2-[(2R,6R,8S,8aR)-6-hydroxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
Basic information
- CAS
1192042-49-1- Standard SMILES
C=C(C(=O)OC)[C@@H]1CCC2=C[C@H](O)C[C@H](C)[C@@]2(C)C1- InChIKey
SBDFHVASHOFFJD-UOJODKQESA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Names & identifiers
- Preferred name
- methyl 2-[(2R,6R,8S,8aR)-6-hydroxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
- IUPAC
- methyl 2-[(2R,6R,8S,8aR)-6-hydroxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
Names & synonyms
CHEMBL595087DTXSID2011107531192042-49-1Methyl (2R,6R,8S,8aR)-1,2,3,4,6,7,8,8a-octahydro-6-hydroxy-8,8a-dimethyl-I+/--methylene-2-naphthaleneacetate
Database identifiers
- CAS
1192042-49-1- PubChem CID
- 45101481
- DTXSID
DTXSID201110753- ChEMBL
CHEMBL595087
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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