Basic information
- CAS
111319-83-6- Standard SMILES
COC(=O)[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C- InChIKey
RLQBUOKUZYRPSN-ZENOOKHLSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Names & identifiers
- Preferred name
- 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-
- IUPAC
- methyl (1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
Names & synonyms
111319-83-61-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-DTXSID60912110Methyl 2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylatemethyl (1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
Database identifiers
- CAS
111319-83-6- PubChem CID
- 183256
- DTXSID
DTXSID60912110
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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