2(1H)-Naphthalenone, octahydro-3-methyl-, (3alpha,4abeta,8aalpha)-
Basic information
- CAS
55332-01-9- Standard SMILES
CC1CC2CCCCC2CC1=O- InChIKey
MHEYINGBKKDJJK-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Overview
See also: 3-Methyl-2-decalone (mixture OF isomers) (annotation moved to).
Names & identifiers
- Preferred name
- 2(1H)-Naphthalenone, octahydro-3-methyl-, (3alpha,4abeta,8aalpha)-
- IUPAC
- 3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Names & synonyms
3-Methyloctahydronaphthalen-2(1H)-one55332-01-974411-17-92(1H)-Naphthalenone, octahydro-3-methyl-, (3.alpha.,4a.beta.,8a.alpha.)-NSC779302(1H)-Naphthalenone, octahydro-3-methyl-, (3alpha,4abeta,8aalpha)-NCIOpen2_0007853-METHYL-2-DECALONESCHEMBL9965307DTXSID00970678MHEYINGBKKDJJK-UHFFFAOYSA-NNSC-77930
Show more names
AKOS0062717523-Methyloctahydro-2(1H)-naphthalenoneBicyclo[4.4.0]decan-3-one,4-methyl-2(1H)-Naphthalenone, octahydro-3-methyl-3-Methyloctahydro-2(1H)-naphthalenone-, (3.alpha.,4a.beta.,8a.alpha.)-
Database identifiers
- CAS
55332-01-9、74411-17-9- PubChem CID
- 143271
- DTXSID
DTXSID00970678
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…