4-(4-(Isopropyl)cyclohexyl)-4-methylpentan-2-one
Basic information
- CAS
10534-37-9- Standard SMILES
CC(=O)CC(C)(C)C1CCC(C(C)C)CC1- InChIKey
RLPJJOKZQQYRCM-UHFFFAOYSA-N- Molecular formula
- C15H28O
- Average molar mass
- 224.38 g/mol
- Monoisotopic mass
- 224.21401551
Overview
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Names & identifiers
- Preferred name
- 4-(4-(Isopropyl)cyclohexyl)-4-methylpentan-2-one
- IUPAC
- 4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-one
- English name
- 4-[4-(isopropyl)cyclohexyl]-4-methylpentan-2-one
- Molecular formula
- C15H28O
- Molecular weight
- 224.38
Names & synonyms
10534-37-94-(4-(Isopropyl)cyclohexyl)-4-methylpentan-2-one4-[4-(ISOPROPYL)CYCLOHEXYL]-4-METHYLPENTAN-2-ONE4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-oneEINECS 234-100-24-methyl-4-[4-(propan-2-yl)cyclohexyl]pentan-2-oneDTXSID60147086RLPJJOKZQQYRCM-UHFFFAOYSA-NNS000233674-Methyl-4-[4-(1-methylethyl)cyclohexyl]-2-pentanone2-Pentanone, 4-methyl-4-[4-(1-methylethyl)cyclohexyl]-
Database identifiers
- CAS
10534-37-9- PubChem CID
- 82706
- DTXSID
DTXSID60147086- EC Number
- 234-100-2
- Nikkaji
- J212.466A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 120 · 120-121 °C(Press: 2 Torr)
- Density
- 0.9074 g/cm3 · 0.9074 g/cm3
Related reactions
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No reaction records under the current filter.
Compound notes
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