3-ethenyl-2,2-diethyloxirane

C8H14O — CID 13003617

IUPAC3-ethenyl-2,2-diethyloxirane
SMILESC=CC1OC1(CC)CC
InChIInChI=1S/C8H14O/c1-4-7-8(5-2,6-3)9-7/h4,7H,1,5-6H2,2-3H3
InChIKeyLSIFGJLTKZLMLE-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds3

About 3-ethenyl-2,2-diethyloxirane

3-ethenyl-2,2-diethyloxirane (PubChem CID 13003617) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethenyl-2,2-diethyloxirane.

Molecular Properties

Compound Name3-ethenyl-2,2-diethyloxirane
PubChem CID13003617
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethenyl-2,2-diethyloxirane
SMILESC=CC1OC1(CC)CC
InChIInChI=1S/C8H14O/c1-4-7-8(5-2,6-3)9-7/h4,7H,1,5-6H2,2-3H3
InChIKeyLSIFGJLTKZLMLE-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-Diallyloxirane
CID 12237128
3-Ethenyl-2,2-dimethyloxirane
CID 12553880
Tetraallyloxethane
CID 22719146
(2S,3S)-2-ethenyl-3-propan-2-yloxirane
CID 134928257
2-Ethyl-3-vinyloxirane
CID 534767
2-Methyl-2,3-divinyloxirane
CID 548830
2-Ethenyl-2,3-dimethyloxirane
CID 12465978
(2R,3S)-2-ethenyl-3-propan-2-yloxirane
CID 168085840
(2R,3S)-2-tert-butyl-3-ethenyloxirane
CID 10486856
Vinyloxaspirohexane
CID 129652908
(2S,3S)-2-ethenyl-3-ethyloxirane
CID 134927722
(3R)-2,2-dibutyl-3-ethenyloxirane
CID 154719468

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,2-diethyloxirane?
The IUPAC name of 3-ethenyl-2,2-diethyloxirane (CID 13003617) is 3-ethenyl-2,2-diethyloxirane.
What is the SMILES notation for 3-ethenyl-2,2-diethyloxirane?
The canonical SMILES for 3-ethenyl-2,2-diethyloxirane is C=CC1OC1(CC)CC.
What is the InChIKey of 3-ethenyl-2,2-diethyloxirane?
The InChIKey is LSIFGJLTKZLMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-8(5-2,6-3)9-7/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 3-ethenyl-2,2-diethyloxirane?
3-ethenyl-2,2-diethyloxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,2-diethyloxirane is sourced from PubChem (CID 13003617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).