2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane

C11H16O — CID 87612041

IUPAC2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CCC1CCC(C=C)C2OC12
InChIInChI=1S/C11H16O/c1-3-5-9-7-6-8(4-2)10-11(9)12-10/h3-4,8-11H,1-2,5-7H2
InChIKeyOJWVCRNRRWJOEQ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.54
Rot. Bonds3

About 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane

2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 87612041) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
PubChem CID87612041
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CCC1CCC(C=C)C2OC12
InChIInChI=1S/C11H16O/c1-3-5-9-7-6-8(4-2)10-11(9)12-10/h3-4,8-11H,1-2,5-7H2
InChIKeyOJWVCRNRRWJOEQ-UHFFFAOYSA-N
XLogP2.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.54
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-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane (CID 87612041) is 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane is C=CCC1CCC(C=C)C2OC12.
What is the InChIKey of 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is OJWVCRNRRWJOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-9-7-6-8(4-2)10-11(9)12-10/h3-4,8-11H,1-2,5-7H2.
What are the key properties of 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 164.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 87612041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).