4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane

C11H16O — CID 87452174

IUPAC4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CCC12CCC(C=C)CC1O2
InChIInChI=1S/C11H16O/c1-3-6-11-7-5-9(4-2)8-10(11)12-11/h3-4,9-10H,1-2,5-8H2
InChIKeyDLEHXWGTCCXYJN-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds3

About 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane

4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 87452174) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
PubChem CID87452174
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CCC12CCC(C=C)CC1O2
InChIInChI=1S/C11H16O/c1-3-6-11-7-5-9(4-2)8-10(11)12-11/h3-4,9-10H,1-2,5-8H2
InChIKeyDLEHXWGTCCXYJN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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'}

Analyze 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane (CID 87452174) is 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane is C=CCC12CCC(C=C)CC1O2.
What is the InChIKey of 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is DLEHXWGTCCXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-6-11-7-5-9(4-2)8-10(11)12-11/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 164.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 87452174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).