(2S)-2-pentadecyloxirane

C17H34O — CID 10706151

IUPAC(2S)-2-pentadecyloxirane
SMILESCCCCCCCCCCCCCCC[C@H]1CO1
InChIInChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18-17/h17H,2-16H2,1H3/t17-/m0/s1
InChIKeyXSNXNMMWBCZUSS-KRWDZBQOSA-N
MW254.46 g/mol
LogP5.87
Rot. Bonds14

About (2S)-2-pentadecyloxirane

(2S)-2-pentadecyloxirane (PubChem CID 10706151) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (2S)-2-pentadecyloxirane.

Molecular Properties

Compound Name(2S)-2-pentadecyloxirane
PubChem CID10706151
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(2S)-2-pentadecyloxirane
SMILESCCCCCCCCCCCCCCC[C@H]1CO1
InChIInChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18-17/h17H,2-16H2,1H3/t17-/m0/s1
InChIKeyXSNXNMMWBCZUSS-KRWDZBQOSA-N
XLogP5.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.87
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-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-pentyloxirane
CID 11147691
ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;oxirane
CID 175319175
2-(4-dodecoxybutyl)oxirane
CID 22900888
2-nonadec-10-enyloxirane
CID 54194145
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pentadecyloxirane?
The IUPAC name of (2S)-2-pentadecyloxirane (CID 10706151) is (2S)-2-pentadecyloxirane.
What is the SMILES notation for (2S)-2-pentadecyloxirane?
The canonical SMILES for (2S)-2-pentadecyloxirane is CCCCCCCCCCCCCCC[C@H]1CO1.
What is the InChIKey of (2S)-2-pentadecyloxirane?
The InChIKey is XSNXNMMWBCZUSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18-17/h17H,2-16H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-pentadecyloxirane?
(2S)-2-pentadecyloxirane has a molecular weight of 254.46 g/mol, XLogP of 5.87, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pentadecyloxirane is sourced from PubChem (CID 10706151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).