[3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol

HCID 468705

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Basic information

CAS: 350237-59-1
Standard SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC1(C)OC1CO
InChIKey: DSWPRMYGLZQURA-UVHRUJRTSA-N
Molecular formula: C20H40O2
Average molar mass: 312.5 g/mol
Monoisotopic mass: 312.30283051

Names & identifiers

Preferred name: [3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
IUPAC: [3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol

Names & synonyms

[3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol(E)-Phytyl epoxide{3-Methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl}methanol350237-59-1SCHEMBL27566632DTXSID90332847{3-Methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2-oxiranyl}methanol

Database identifiers

CAS: 350237-59-1
PubChem CID: 468705
DTXSID: DTXSID90332847

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 13
Heavy atoms: 22
Formal charge: 0
Complexity: 289

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