2-ethenyl-2-prop-2-enyloxirane

C7H10O — CID 88725119

IUPAC2-ethenyl-2-prop-2-enyloxirane
SMILESC=CCC1(C=C)CO1
InChIInChI=1S/C7H10O/c1-3-5-7(4-2)6-8-7/h3-4H,1-2,5-6H2
InChIKeyPUSAASAFSOQZCH-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.52
Rot. Bonds3

About 2-ethenyl-2-prop-2-enyloxirane

2-ethenyl-2-prop-2-enyloxirane (PubChem CID 88725119) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-ethenyl-2-prop-2-enyloxirane.

Molecular Properties

Compound Name2-ethenyl-2-prop-2-enyloxirane
PubChem CID88725119
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-ethenyl-2-prop-2-enyloxirane
SMILESC=CCC1(C=C)CO1
InChIInChI=1S/C7H10O/c1-3-5-7(4-2)6-8-7/h3-4H,1-2,5-6H2
InChIKeyPUSAASAFSOQZCH-UHFFFAOYSA-N
XLogP1.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.52
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
2-Ethenyl-2,3-dimethyloxirane
CID 12465978
2-Ethenyl-2-propyloxirane
CID 11423573
(2R)-2-methyl-2-prop-2-enyloxirane
CID 100946653
(2S)-2-methyl-2-prop-2-enyloxirane
CID 100946654

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-prop-2-enyloxirane?
The IUPAC name of 2-ethenyl-2-prop-2-enyloxirane (CID 88725119) is 2-ethenyl-2-prop-2-enyloxirane.
What is the SMILES notation for 2-ethenyl-2-prop-2-enyloxirane?
The canonical SMILES for 2-ethenyl-2-prop-2-enyloxirane is C=CCC1(C=C)CO1.
What is the InChIKey of 2-ethenyl-2-prop-2-enyloxirane?
The InChIKey is PUSAASAFSOQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-5-7(4-2)6-8-7/h3-4H,1-2,5-6H2.
What are the key properties of 2-ethenyl-2-prop-2-enyloxirane?
2-ethenyl-2-prop-2-enyloxirane has a molecular weight of 110.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-prop-2-enyloxirane is sourced from PubChem (CID 88725119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).