12-Methylhexacosane

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Basic information

CAS: 65848-37-5
Standard SMILES: CCCCCCCCCCCCCCC(C)CCCCCCCCCCC
InChIKey: HOZWOBPGLWUNCK-UHFFFAOYSA-N
Molecular formula: C27H56
Average molar mass: 380.7 g/mol
Monoisotopic mass: 380.43820179

Names & identifiers

Preferred name: 12-Methylhexacosane
IUPAC: 12-methylhexacosane

Names & synonyms

12-methylhexacosaneHexacosane, 12-methylHexadecane, 2-undecyl65848-37-5SCHEMBL201007SCHEMBL5987061SCHEMBL17161354SCHEMBL31509317DTXSID80336031LMFA11000229

Database identifiers

CAS: 65848-37-5
PubChem CID: 528502
DTXSID: DTXSID80336031
Nikkaji: J1.604.757K

Properties

Computed structural properties

XLogP: 14.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 23
Heavy atoms: 27
Formal charge: 0
Complexity: 244

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]

Related reactions

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Compound notes

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