11,15-Dimethylhexadecan-7-one

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Basic information

CAS: 71172-52-6
Standard SMILES: CCCCCCC(=O)CCCC(C)CCCC(C)C
InChIKey: KHTCFGAGGCGUBB-UHFFFAOYSA-N
Molecular formula: C18H36O
Average molar mass: 268.5 g/mol
Monoisotopic mass: 268.27661577

Names & identifiers

Preferred name: 11,15-Dimethylhexadecan-7-one
IUPAC: 11,15-dimethylhexadecan-7-one
English name: 2,6-Dimethyl-10-hexadecanone
Molecular formula: C18H36O
Molecular weight: 268.48

Names & synonyms

11,15-dimethylhexadecan-7-one71172-52-6NSC 163905NSC1639052,6-dimethyl-10-hexadecanoneSCHEMBL3411824DTXSID80304018AKOS024332384NSC-1639057-Hexadecanone, 11,15-dimethyl-

Database identifiers

CAS: 71172-52-6
PubChem CID: 294845
DTXSID: DTXSID80304018

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 13
Heavy atoms: 19
Formal charge: 0
Complexity: 208

Physicochemical properties

Boiling point: 323.5 · 323.5±10.0 °C(Predicted)
Density: 0.829 · 0.829±0.06 g/cm3(Predicted)

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Compound notes

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