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

C17H34O2 — CID 46831325

IUPAC[(2R,3R)-3-tetradecyloxiran-2-yl]methanol
SMILESCCCCCCCCCCCCCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17(15-18)19-16/h16-18H,2-15H2,1H3/t16-,17-/m1/s1
InChIKeyFAFTZYCMWMQWIA-IAGOWNOFSA-N
MW270.46 g/mol
LogP4.84
Rot. Bonds14

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

[(2R,3R)-3-tetradecyloxiran-2-yl]methanol (PubChem CID 46831325) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is [(2R,3R)-3-tetradecyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-tetradecyloxiran-2-yl]methanol
PubChem CID46831325
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name[(2R,3R)-3-tetradecyloxiran-2-yl]methanol
SMILESCCCCCCCCCCCCCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17(15-18)19-16/h16-18H,2-15H2,1H3/t16-,17-/m1/s1
InChIKeyFAFTZYCMWMQWIA-IAGOWNOFSA-N
XLogP4.84
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.84
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-tetradecyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-tetradecyloxiran-2-yl]methanol (CID 46831325) is [(2R,3R)-3-tetradecyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-tetradecyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-tetradecyloxiran-2-yl]methanol is CCCCCCCCCCCCCC[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-tetradecyloxiran-2-yl]methanol?
The InChIKey is FAFTZYCMWMQWIA-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17(15-18)19-16/h16-18H,2-15H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2R,3R)-3-tetradecyloxiran-2-yl]methanol?
[(2R,3R)-3-tetradecyloxiran-2-yl]methanol has a molecular weight of 270.46 g/mol, XLogP of 4.84, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-tetradecyloxiran-2-yl]methanol is sourced from PubChem (CID 46831325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).