2-Butylidene-1-cyclohexanone
Basic information
- CAS
7153-14-2- Standard SMILES
CCCC=C1CCCCC1=O- InChIKey
MYSLPKPAMDRDGE-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 2-Butylidene-1-cyclohexanone
- IUPAC
- 2-butylidenecyclohexan-1-one
- English name
- 2-Butylidene-1-cyclohexanone
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2-BUTYLIDENE-1-CYCLOHEXANONE2-butylidenecyclohexan-1-onebutylidenecyclohexanoneSCHEMBL9511716MYSLPKPAMDRDGE-UHFFFAOYSA-NDTXSID501312475DB-055546NS00043257Einecs 230-498-72-butylidenecyclohexanone
Database identifiers
- CAS
7153-14-2- PubChem CID
- 96222
- DTXSID
DTXSID501312475
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 168
Physicochemical properties
- Boiling point
- 234.73 °C · 234.73°C (rough estimate)
- Density
- 0.935 · 0.9350
- refractive index
- 1.48 · 1.4800 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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