[(2S,3R)-3-decyloxiran-2-yl]methanol

C13H26O2 — CID 10878527

IUPAC[(2S,3R)-3-decyloxiran-2-yl]methanol
SMILESCCCCCCCCCC[C@H]1O[C@H]1CO
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-12-13(11-14)15-12/h12-14H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyWTHQANRNUUMWPW-OLZOCXBDSA-N
MW214.35 g/mol
LogP3.28
Rot. Bonds10

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

[(2S,3R)-3-decyloxiran-2-yl]methanol (PubChem CID 10878527) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is [(2S,3R)-3-decyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-decyloxiran-2-yl]methanol
PubChem CID10878527
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name[(2S,3R)-3-decyloxiran-2-yl]methanol
SMILESCCCCCCCCCC[C@H]1O[C@H]1CO
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-12-13(11-14)15-12/h12-14H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyWTHQANRNUUMWPW-OLZOCXBDSA-N
XLogP3.28
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.28
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 [(2S,3R)-3-decyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-decyloxiran-2-yl]methanol (CID 10878527) is [(2S,3R)-3-decyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-decyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-decyloxiran-2-yl]methanol is CCCCCCCCCC[C@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3R)-3-decyloxiran-2-yl]methanol?
The InChIKey is WTHQANRNUUMWPW-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-12-13(11-14)15-12/h12-14H,2-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(2S,3R)-3-decyloxiran-2-yl]methanol?
[(2S,3R)-3-decyloxiran-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-decyloxiran-2-yl]methanol is sourced from PubChem (CID 10878527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).