methyl (2R)-2-tetradecyloxirane-2-carboxylate

C18H34O3 — CID 11044740

IUPACmethyl (2R)-2-tetradecyloxirane-2-carboxylate
SMILESCCCCCCCCCCCCCC[C@]1(C(=O)OC)CO1
InChIInChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20-2/h3-16H2,1-2H3/t18-/m1/s1
InChIKeyRSSDZUNGAWCFPT-GOSISDBHSA-N
MW298.47 g/mol
LogP5.02
Rot. Bonds14

About methyl (2R)-2-tetradecyloxirane-2-carboxylate

methyl (2R)-2-tetradecyloxirane-2-carboxylate (PubChem CID 11044740) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl (2R)-2-tetradecyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-tetradecyloxirane-2-carboxylate
PubChem CID11044740
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Namemethyl (2R)-2-tetradecyloxirane-2-carboxylate
SMILESCCCCCCCCCCCCCC[C@]1(C(=O)OC)CO1
InChIInChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20-2/h3-16H2,1-2H3/t18-/m1/s1
InChIKeyRSSDZUNGAWCFPT-GOSISDBHSA-N
XLogP5.02
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (2R)-2-tetradecyloxirane-2-carboxylate?
The IUPAC name of methyl (2R)-2-tetradecyloxirane-2-carboxylate (CID 11044740) is methyl (2R)-2-tetradecyloxirane-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-tetradecyloxirane-2-carboxylate?
The canonical SMILES for methyl (2R)-2-tetradecyloxirane-2-carboxylate is CCCCCCCCCCCCCC[C@]1(C(=O)OC)CO1.
What is the InChIKey of methyl (2R)-2-tetradecyloxirane-2-carboxylate?
The InChIKey is RSSDZUNGAWCFPT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20-2/h3-16H2,1-2H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-tetradecyloxirane-2-carboxylate?
methyl (2R)-2-tetradecyloxirane-2-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 5.02, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-tetradecyloxirane-2-carboxylate is sourced from PubChem (CID 11044740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).