4a-Methyloctahydronaphthalen-2(1H)-one
Basic information
- CAS
57458-01-2- Standard SMILES
CC12CCCCC1CC(=O)CC2- InChIKey
QAFCUHJMKAQBFU-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 4a-Methyloctahydronaphthalen-2(1H)-one
- IUPAC
- 4a-methyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
- English name
- rel-(8aβ*)-4aα*-Methyldecalin-2-one
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
DTXSID309179154a-methyloctahydronaphthalen-2(1H)-oneRefChem:1071743DTXCID901002824938-07-89-Methyl-trans-decaloneNSC17930010-Methyl-trans-2-decaloneghl.PD_Mitscher_leg0.1252SCHEMBL1070747QAFCUHJMKAQBFU-UHFFFAOYSA-NAKOS024325248
Show more names
2(1H)-Naphthalenone, octahydro-4a-methyl-, (4aR,8aR)-rel-
NSC-1793004A-METHYLDECAHYDRONAPHTHALEN-2-ONE4a-Methyloctahydro-2(1H)-naphthalenone #2(1H)-Naphthalenone, octahydro-4a-methyl-, cis-1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTHLENONE
Database identifiers
- CAS
57458-01-2、938-07-8- PubChem CID
- 301460
- DTXSID
DTXSID30917915- Nikkaji
- J354.738H
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 197
Physicochemical properties
- Boiling point
- 130 · 130-133 °C(Press: 21 Torr)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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