2-hexadecyloxirane;tetradecane

C32H66O — CID 174899291

IUPAC2-hexadecyloxirane;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C14H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h18H,2-17H2,1H3;3-14H2,1-2H3
InChIKeyDPVXQKFQYSOHQP-UHFFFAOYSA-N
MW466.88 g/mol
LogP11.96
Rot. Bonds26

About 2-hexadecyloxirane;tetradecane

2-hexadecyloxirane;tetradecane (PubChem CID 174899291) has the molecular formula C32H66O and a molecular weight of 466.88 g/mol. Its IUPAC name is 2-hexadecyloxirane;tetradecane.

Molecular Properties

Compound Name2-hexadecyloxirane;tetradecane
PubChem CID174899291
Molecular FormulaC32H66O
Molecular Weight466.88 g/mol
Exact Mass466.51
IUPAC Name2-hexadecyloxirane;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C14H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h18H,2-17H2,1H3;3-14H2,1-2H3
InChIKeyDPVXQKFQYSOHQP-UHFFFAOYSA-N
XLogP11.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 511.96
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
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(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-hexadecyloxirane;tetradecane?
The IUPAC name of 2-hexadecyloxirane;tetradecane (CID 174899291) is 2-hexadecyloxirane;tetradecane.
What is the SMILES notation for 2-hexadecyloxirane;tetradecane?
The canonical SMILES for 2-hexadecyloxirane;tetradecane is CCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC1CO1.
What is the InChIKey of 2-hexadecyloxirane;tetradecane?
The InChIKey is DPVXQKFQYSOHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C14H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h18H,2-17H2,1H3;3-14H2,1-2H3.
What are the key properties of 2-hexadecyloxirane;tetradecane?
2-hexadecyloxirane;tetradecane has a molecular weight of 466.88 g/mol, XLogP of 11.96, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyloxirane;tetradecane is sourced from PubChem (CID 174899291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).