[(2R,3R)-3-pentadecyloxiran-2-yl]methanol

C18H36O2 — CID 10902156

IUPAC[(2R,3R)-3-pentadecyloxiran-2-yl]methanol
SMILESCCCCCCCCCCCCCCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-19)20-17/h17-19H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyYZFWQAZFXICNNE-QZTJIDSGSA-N
MW284.48 g/mol
LogP5.23
Rot. Bonds15

About [(2R,3R)-3-pentadecyloxiran-2-yl]methanol

[(2R,3R)-3-pentadecyloxiran-2-yl]methanol (PubChem CID 10902156) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is [(2R,3R)-3-pentadecyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-pentadecyloxiran-2-yl]methanol
PubChem CID10902156
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name[(2R,3R)-3-pentadecyloxiran-2-yl]methanol
SMILESCCCCCCCCCCCCCCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-19)20-17/h17-19H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyYZFWQAZFXICNNE-QZTJIDSGSA-N
XLogP5.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-pentadecyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-pentadecyloxiran-2-yl]methanol (CID 10902156) is [(2R,3R)-3-pentadecyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-pentadecyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-pentadecyloxiran-2-yl]methanol is CCCCCCCCCCCCCCC[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-pentadecyloxiran-2-yl]methanol?
The InChIKey is YZFWQAZFXICNNE-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-19)20-17/h17-19H,2-16H2,1H3/t17-,18-/m1/s1.
What are the key properties of [(2R,3R)-3-pentadecyloxiran-2-yl]methanol?
[(2R,3R)-3-pentadecyloxiran-2-yl]methanol has a molecular weight of 284.48 g/mol, XLogP of 5.23, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-pentadecyloxiran-2-yl]methanol is sourced from PubChem (CID 10902156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).