3,4-bis(ethenyl)oxolane

C8H12O — CID 12646752

IUPAC3,4-bis(ethenyl)oxolane
SMILESC=CC1COCC1C=C
InChIInChI=1S/C8H12O/c1-3-7-5-9-6-8(7)4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyABDGKJPWPOKNMU-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.62
Rot. Bonds2

About 3,4-bis(ethenyl)oxolane

3,4-bis(ethenyl)oxolane (PubChem CID 12646752) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3,4-bis(ethenyl)oxolane.

Molecular Properties

Compound Name3,4-bis(ethenyl)oxolane
PubChem CID12646752
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3,4-bis(ethenyl)oxolane
SMILESC=CC1COCC1C=C
InChIInChI=1S/C8H12O/c1-3-7-5-9-6-8(7)4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyABDGKJPWPOKNMU-UHFFFAOYSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)oxolane?
The IUPAC name of 3,4-bis(ethenyl)oxolane (CID 12646752) is 3,4-bis(ethenyl)oxolane.
What is the SMILES notation for 3,4-bis(ethenyl)oxolane?
The canonical SMILES for 3,4-bis(ethenyl)oxolane is C=CC1COCC1C=C.
What is the InChIKey of 3,4-bis(ethenyl)oxolane?
The InChIKey is ABDGKJPWPOKNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-7-5-9-6-8(7)4-2/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 3,4-bis(ethenyl)oxolane?
3,4-bis(ethenyl)oxolane has a molecular weight of 124.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)oxolane is sourced from PubChem (CID 12646752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).