2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane

C10H16O — CID 170848229

IUPAC2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1(CC)CCCC2OC21
InChIInChI=1S/C10H16O/c1-3-10(4-2)7-5-6-8-9(10)11-8/h3,8-9H,1,4-7H2,2H3
InChIKeyUNUPISPJKLZFQQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds2

About 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane

2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 170848229) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane
PubChem CID170848229
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1(CC)CCCC2OC21
InChIInChI=1S/C10H16O/c1-3-10(4-2)7-5-6-8-9(10)11-8/h3,8-9H,1,4-7H2,2H3
InChIKeyUNUPISPJKLZFQQ-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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'}

Analyze 2-ethenyl-2-ethyl-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 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane (CID 170848229) is 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane is C=CC1(CC)CCCC2OC21.
What is the InChIKey of 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is UNUPISPJKLZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-10(4-2)7-5-6-8-9(10)11-8/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane?
2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-ethyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 170848229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).