1-Methyl-2,8-dibenzylcyclooctanol
Basic information
- CAS
53774-87-1- Standard SMILES
CC1(O)C(Cc2ccccc2)CCCCCC1Cc1ccccc1- InChIKey
XQCWKGCMGQQQHJ-UHFFFAOYSA-N- Molecular formula
- C23H30O
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.22966558
Names & identifiers
- Preferred name
- 1-Methyl-2,8-dibenzylcyclooctanol
- IUPAC
- 2,8-dibenzyl-1-methylcyclooctan-1-ol
Names & synonyms
53774-87-11-Methyl-2,8-dibenzylcyclooctanol2,8-dibenzyl-1-methylcyclooctan-1-ol1-Methyl-2,8-bis(phenylmethyl)cyclooctanolCyclooctanol, 1-methyl-2,8-bis(phenylmethyl)-DTXSID90968549
Database identifiers
- CAS
53774-87-1- PubChem CID
- 135249
- DTXSID
DTXSID90968549
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…