4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one
Basic information
- CAS
97752-23-3- Standard SMILES
CC1=CC2C(C(C)C)CCC(C)C2CC1=O- InChIKey
UYEHLXVLWLCOHY-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one
- IUPAC
- 3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
- English name
- 4a,5,6,7,8,8a-hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one
- Molecular formula
- C15H24O
- Molecular weight
- 220.35046
Names & synonyms
97752-23-34a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one5-Isopropyl-3,8-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-oneEINECS 307-785-13,8-dimethyl-5-(propan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1h)-oneDTXSID80913669UYEHLXVLWLCOHY-UHFFFAOYSA-NNS00066136EINECS 307-785-1, CID113451, 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one, 97752-23-3
Database identifiers
- CAS
97752-23-3- PubChem CID
- 113451
- DTXSID
DTXSID80913669- EC Number
- 307-785-1
- Nikkaji
- J318.142A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 313
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…