Basic information
- CAS
68365-89-9- Standard SMILES
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCC[C@@H]21- InChIKey
YPZUZOLGGMJZJO-DARAHFNDSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Names & identifiers
- Preferred name
- (3aR,5aS,9aS,9bS)-Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan
- IUPAC
- (3aR,5aS,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
Names & synonyms
SCHEMBL15315207DTXSID701374097(3aR,5aS,9aS,9bS)-Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan68365-89-9
Database identifiers
- CAS
68365-89-9- PubChem CID
- 6977166
- DTXSID
DTXSID701374097- Nikkaji
- J374.601A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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