2-hexadecyl-2-tetradecyloxirane

C32H64O — CID 71421731

IUPAC2-hexadecyl-2-tetradecyloxirane
SMILESCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCC)CO1
InChIInChI=1S/C32H64O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32(31-33-32)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyFQFQJTCMCMNHFO-UHFFFAOYSA-N
MW464.86 g/mol
LogP11.72
Rot. Bonds28

About 2-hexadecyl-2-tetradecyloxirane

2-hexadecyl-2-tetradecyloxirane (PubChem CID 71421731) has the molecular formula C32H64O and a molecular weight of 464.86 g/mol. Its IUPAC name is 2-hexadecyl-2-tetradecyloxirane.

Molecular Properties

Compound Name2-hexadecyl-2-tetradecyloxirane
PubChem CID71421731
Molecular FormulaC32H64O
Molecular Weight464.86 g/mol
Exact Mass464.50
IUPAC Name2-hexadecyl-2-tetradecyloxirane
SMILESCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCC)CO1
InChIInChI=1S/C32H64O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32(31-33-32)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyFQFQJTCMCMNHFO-UHFFFAOYSA-N
XLogP11.72
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

2-hexyl-2-propyloxirane
CID 139691135
[(2S)-2-octyloxiran-2-yl]methanol
CID 11041465
[(2S)-2-tetradecyloxiran-2-yl]methanol
CID 11032940
2-(chloromethyl)-2-heptyloxirane
CID 86123992
2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-octyloxiran-2-amine
CID 87096100
2-fluoro-2-hexyloxirane
CID 21452195
2-methyl-2-pentyloxirane
CID 559073

Frequently Asked Questions

What is the IUPAC name of 2-hexadecyl-2-tetradecyloxirane?
The IUPAC name of 2-hexadecyl-2-tetradecyloxirane (CID 71421731) is 2-hexadecyl-2-tetradecyloxirane.
What is the SMILES notation for 2-hexadecyl-2-tetradecyloxirane?
The canonical SMILES for 2-hexadecyl-2-tetradecyloxirane is CCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCC)CO1.
What is the InChIKey of 2-hexadecyl-2-tetradecyloxirane?
The InChIKey is FQFQJTCMCMNHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32(31-33-32)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-31H2,1-2H3.
What are the key properties of 2-hexadecyl-2-tetradecyloxirane?
2-hexadecyl-2-tetradecyloxirane has a molecular weight of 464.86 g/mol, XLogP of 11.72, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyl-2-tetradecyloxirane is sourced from PubChem (CID 71421731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).