2,3-bis(ethenyl)-2-methyloxirane

C7H10O — CID 548830

IUPAC2,3-bis(ethenyl)-2-methyloxirane
SMILESC=CC1OC1(C)C=C
InChIInChI=1S/C7H10O/c1-4-6-7(3,5-2)8-6/h4-6H,1-2H2,3H3
InChIKeyZWDHEPWPBBQBFI-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.52
Rot. Bonds2

About 2,3-bis(ethenyl)-2-methyloxirane

2,3-bis(ethenyl)-2-methyloxirane (PubChem CID 548830) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-2-methyloxirane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-2-methyloxirane
PubChem CID548830
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2,3-bis(ethenyl)-2-methyloxirane
SMILESC=CC1OC1(C)C=C
InChIInChI=1S/C7H10O/c1-4-6-7(3,5-2)8-6/h4-6H,1-2H2,3H3
InChIKeyZWDHEPWPBBQBFI-UHFFFAOYSA-N
XLogP1.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-2-methyloxirane?
The IUPAC name of 2,3-bis(ethenyl)-2-methyloxirane (CID 548830) is 2,3-bis(ethenyl)-2-methyloxirane.
What is the SMILES notation for 2,3-bis(ethenyl)-2-methyloxirane?
The canonical SMILES for 2,3-bis(ethenyl)-2-methyloxirane is C=CC1OC1(C)C=C.
What is the InChIKey of 2,3-bis(ethenyl)-2-methyloxirane?
The InChIKey is ZWDHEPWPBBQBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-4-6-7(3,5-2)8-6/h4-6H,1-2H2,3H3.
What are the key properties of 2,3-bis(ethenyl)-2-methyloxirane?
2,3-bis(ethenyl)-2-methyloxirane has a molecular weight of 110.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-2-methyloxirane is sourced from PubChem (CID 548830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).