Basic information
- CAS
5595-18-6- Standard SMILES
CCC1CCC(C(C)(C)CC(C)=O)CC1- InChIKey
NUUIYEWNUZLOKL-UHFFFAOYSA-N- Molecular formula
- C14H26O
- Average molar mass
- 210.36 g/mol
- Monoisotopic mass
- 210.19836545
Names & identifiers
- Preferred name
- 4-(4-Ethylcyclohexyl)-4-methylpentan-2-one
- IUPAC
- 4-(4-ethylcyclohexyl)-4-methylpentan-2-one
- English name
- 4-(4-ethylcyclohexyl)-4-methylpentan-2-one
- Molecular formula
- C14H26O
- Molecular weight
- 210.36
Names & synonyms
4-(4-Ethylcyclohexyl)-4-methylpentan-2-one5595-18-6EINECS 227-008-9DTXSID30204539NUUIYEWNUZLOKL-UHFFFAOYSA-NAKOS014102228NS000334324-(4-Ethylcyclohexyl)-4-methyl-2-pentanone2-Pentanone, 4-(4-ethylcyclohexyl)-4-methyl-
Database identifiers
- CAS
5595-18-6- PubChem CID
- 79705
- DTXSID
DTXSID30204539- EC Number
- 227-008-9
- Nikkaji
- J225.046B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 108 °C · 108 °C(Press: 3 Torr)
- Density
- 0.9104 g/cm3 · 0.9104 g/cm3
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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