2-ethenyl-2-ethyloxirane

C6H10O — CID 25209910

IUPAC2-ethenyl-2-ethyloxirane
SMILESC=CC1(CC)CO1
InChIInChI=1S/C6H10O/c1-3-6(4-2)5-7-6/h3H,1,4-5H2,2H3
InChIKeyNOBAKBYLYZQTMS-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds2

About 2-ethenyl-2-ethyloxirane

2-ethenyl-2-ethyloxirane (PubChem CID 25209910) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-ethenyl-2-ethyloxirane.

Molecular Properties

Compound Name2-ethenyl-2-ethyloxirane
PubChem CID25209910
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-ethenyl-2-ethyloxirane
SMILESC=CC1(CC)CO1
InChIInChI=1S/C6H10O/c1-3-6(4-2)5-7-6/h3H,1,4-5H2,2H3
InChIKeyNOBAKBYLYZQTMS-UHFFFAOYSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
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-Methyl-2-vinyloxirane
CID 92166
(3R)-3,4-Epoxy-3-methylbut-1-ene
CID 7000112
Oxirane, 2-ethenyl-2-methyl-, (2S)-
CID 6994061
Oxirane, 2-methyl-2-(2-propenyl)-
CID 12237151
2-Methyl-2-(prop-1-en-2-yl)oxirane
CID 12522356
3-Ethenyl-2,2-dimethyloxirane
CID 12553880
2,2-Bis(ethenyl)oxirane
CID 21495872
2-Methyl-2,3-divinyloxirane
CID 548830
3-Methoxy-3-methyl-1-pentene
CID 559003
2-Ethenyl-2,3-dimethyloxirane
CID 12465978
2-Ethenyl-2-propyloxirane
CID 11423573
(2R)-2-methyl-2-prop-2-enyloxirane
CID 100946653

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-ethyloxirane?
The IUPAC name of 2-ethenyl-2-ethyloxirane (CID 25209910) is 2-ethenyl-2-ethyloxirane.
What is the SMILES notation for 2-ethenyl-2-ethyloxirane?
The canonical SMILES for 2-ethenyl-2-ethyloxirane is C=CC1(CC)CO1.
What is the InChIKey of 2-ethenyl-2-ethyloxirane?
The InChIKey is NOBAKBYLYZQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-6(4-2)5-7-6/h3H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-2-ethyloxirane?
2-ethenyl-2-ethyloxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-ethyloxirane is sourced from PubChem (CID 25209910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).