2,6-Di(cyclohexylidene)cyclohexan-1-one
Basic information
- CAS
3293-32-1- Standard SMILES
O=C1C(=C2CCCCC2)CCCC1=C1CCCCC1- InChIKey
UXLWGCCTUFJXDJ-UHFFFAOYSA-N- Molecular formula
- C18H26O
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.19836545
Names & identifiers
- Preferred name
- 2,6-Di(cyclohexylidene)cyclohexan-1-one
- IUPAC
- 2,6-di(cyclohexylidene)cyclohexan-1-one
- English name
- 2,6-di(cyclohexylidene)cyclohexan-1-one
- Molecular formula
- C18H26O
- Molecular weight
- 258.4
Names & synonyms
2,6-Di(cyclohexylidene)cyclohexan-1-one2,6-DicyclohexylidenecyclohexanoneUT6TQ47XDXcyclohexanone, 2,6-dicyclohexylidene-EINECS 221-956-7DTXSID501865802,6-DI(CYCLOHEXYLIDENE)CYCLOHEXANONERefChem:83097DTXCID901090713293-32-1UNII-UT6TQ47XDXMLS000589469
Show more names
SCHEMBL1992335UXLWGCCTUFJXDJ-UHFFFAOYSA-NSTK536204AKOS005467253SMR000212862[1,1';3',1'']Tercyclohexan-2'-oneNS00029386[1,1':3',1''-Tercyclohexane]-1(1'),1''(3')-dien-2'-one
Database identifiers
- CAS
3293-32-1- PubChem CID
- 76796
- DTXSID
DTXSID50186580- UNII
- UT6TQ47XDX
- EC Number
- 221-956-7
- Nikkaji
- J262.395A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 145 · 145-146 °C
- Boiling point
- 192 °C · 192 °C(Press: 8 Torr)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- FDA UNII
- 6 TQ47XDX · UT6TQ47XDX
Chemistry & industry
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Compound notes
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