Basic information
- CAS
4951-97-7- Standard SMILES
CC[C@H]1C[C@@H](C(C)=O)C1(C)C- InChIKey
XNOFWVNVNSRMKB-IUCAKERBSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- Ketone, 3-ethyl-2,2-dimethylcyclobutyl methyl (Z)-
- IUPAC
- 1-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]ethanone
- English name
- 1-(3-Ethyl-2,2-dimethylcyclobutyl)ethanone
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
KETONE, 3-ETHYL-2,2-DIMETHYLCYCLOBUTYL METHYL (Z)-4951-97-7RefChem:1087999Cyclobutane, 1-acetyl-2,2-dimethyl-3-ethyl-, (cis)-DTXSID509642441-(3-Ethyl-2,2-dimethylcyclobutyl)ethan-1-one1-[(1R,3S)-3-Ethyl-2,2-dimethylcyclobutyl]ethan-1-one1-(3-Ethyl-2,2-dimethylcyclobutyl)ethanoneEthanone, 1-(3-ethyl-2,2-dimethylcyclobutyl)-1-((1S)-2.2-dimethyl-3c-ethyl-cyclobutyl-(r))-ethanone-(1)
Database identifiers
- CAS
4951-97-7- PubChem CID
- 21063
- DTXSID
DTXSID50964244
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 237.64 °C · 237.64°C (rough estimate)
- Density
- 0.8704 · 0.8704 (rough estimate)
- refractive index
- 1.4723 · 1.4723 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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