2-(2-ethylhexadecyl)oxirane

C20H40O — CID 174869726

IUPAC2-(2-ethylhexadecyl)oxirane
SMILESCCCCCCCCCCCCCCC(CC)CC1CO1
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(4-2)17-20-18-21-20/h19-20H,3-18H2,1-2H3
InChIKeyXYCZAZWUOTYICH-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.89
Rot. Bonds16

About 2-(2-ethylhexadecyl)oxirane

2-(2-ethylhexadecyl)oxirane (PubChem CID 174869726) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-(2-ethylhexadecyl)oxirane.

Molecular Properties

Compound Name2-(2-ethylhexadecyl)oxirane
PubChem CID174869726
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2-(2-ethylhexadecyl)oxirane
SMILESCCCCCCCCCCCCCCC(CC)CC1CO1
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(4-2)17-20-18-21-20/h19-20H,3-18H2,1-2H3
InChIKeyXYCZAZWUOTYICH-UHFFFAOYSA-N
XLogP6.89
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.89
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

6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane
CID 20723721
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane;vanadium
CID 20723720
N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride
CID 174764683
2-(2-ethylhexyl)oxetane
CID 158420180
2-(2,3-dimethyltridecyl)oxirane
CID 56626269
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071
10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
CID 87578056
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
CID 19003491
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexadecyl)oxirane?
The IUPAC name of 2-(2-ethylhexadecyl)oxirane (CID 174869726) is 2-(2-ethylhexadecyl)oxirane.
What is the SMILES notation for 2-(2-ethylhexadecyl)oxirane?
The canonical SMILES for 2-(2-ethylhexadecyl)oxirane is CCCCCCCCCCCCCCC(CC)CC1CO1.
What is the InChIKey of 2-(2-ethylhexadecyl)oxirane?
The InChIKey is XYCZAZWUOTYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(4-2)17-20-18-21-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 2-(2-ethylhexadecyl)oxirane?
2-(2-ethylhexadecyl)oxirane has a molecular weight of 296.54 g/mol, XLogP of 6.89, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexadecyl)oxirane is sourced from PubChem (CID 174869726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).