4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one
Basic information
- CAS
13124-69-1- Standard SMILES
CC1CC2C(CC1=O)C2(C)C- InChIKey
ABSCYWMYRVUUIC-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one
- IUPAC
- 4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
- English name
- 4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
- Molecular formula
- C10H16O
- Molecular weight
- 152.23344
Names & synonyms
4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one13124-69-14,7,7-Trimethylbicyclo(4.1.0)heptan-3-oneDTXSID80927140RefChem:1069538DTXCID901316998236-058-0cis-4-caranonecis-caran-4-one4-Caranone, cisEINECS 236-058-0EINECS 246-117-2
Show more names
Carane-4-one
Caranone, (cis-4-)SCHEMBL1127314624278-58-8AKOS025149198DB-194895NS000484934,7,7-Trimethylbicyclo[4.1.0]heptan-3-one, (1R,4R,6S)-(1S-(1alpha,4beta,6alpha))-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one
Database identifiers
- CAS
13124-69-1、24278-58-8- PubChem CID
- 91159
- DTXSID
DTXSID80927140- EC Number
- 236-058-0、246-117-2
- Nikkaji
- J317.820J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…