3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene

C8H10O — CID 118278120

IUPAC3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESC=CC1=CCC2OC2C1
InChIInChI=1S/C8H10O/c1-2-6-3-4-7-8(5-6)9-7/h2-3,7-8H,1,4-5H2
InChIKeyNEWPQWVDHCISDD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds1

About 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene

3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 118278120) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID118278120
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESC=CC1=CCC2OC2C1
InChIInChI=1S/C8H10O/c1-2-6-3-4-7-8(5-6)9-7/h2-3,7-8H,1,4-5H2
InChIKeyNEWPQWVDHCISDD-UHFFFAOYSA-N
XLogP1.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene (CID 118278120) is 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene is C=CC1=CCC2OC2C1.
What is the InChIKey of 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is NEWPQWVDHCISDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-6-3-4-7-8(5-6)9-7/h2-3,7-8H,1,4-5H2.
What are the key properties of 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene?
3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 118278120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).