2-tetradecyloxirane

C16H32O — CID 23741

IUPAC2-tetradecyloxirane
SMILESCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3
InChIKeyDSZTYVZOIUIIGA-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.48
Rot. Bonds13

About 2-tetradecyloxirane

2-tetradecyloxirane (PubChem CID 23741) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-tetradecyloxirane.

Molecular Properties

Compound Name2-tetradecyloxirane
PubChem CID23741
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2-tetradecyloxirane
SMILESCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3
InChIKeyDSZTYVZOIUIIGA-UHFFFAOYSA-N
XLogP5.48
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.48
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
(2S)-2-pentadecyloxirane
CID 10706151
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 2-tetradecyloxirane?
The IUPAC name of 2-tetradecyloxirane (CID 23741) is 2-tetradecyloxirane.
What is the SMILES notation for 2-tetradecyloxirane?
The canonical SMILES for 2-tetradecyloxirane is CCCCCCCCCCCCCCC1CO1.
What is the InChIKey of 2-tetradecyloxirane?
The InChIKey is DSZTYVZOIUIIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3.
What are the key properties of 2-tetradecyloxirane?
2-tetradecyloxirane has a molecular weight of 240.43 g/mol, XLogP of 5.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyloxirane is sourced from PubChem (CID 23741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).