3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane

C16H22O2 — CID 87630475

IUPAC3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1CCC2(C34CC(C=C)CCC3O4)OC2C1
InChIInChI=1S/C16H22O2/c1-3-11-7-8-15(14(9-11)18-15)16-10-12(4-2)5-6-13(16)17-16/h3-4,11-14H,1-2,5-10H2
InChIKeyQXFDHTJRIOXFOU-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.23
Rot. Bonds3

About 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane

3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 87630475) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID87630475
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1CCC2(C34CC(C=C)CCC3O4)OC2C1
InChIInChI=1S/C16H22O2/c1-3-11-7-8-15(14(9-11)18-15)16-10-12(4-2)5-6-13(16)17-16/h3-4,11-14H,1-2,5-10H2
InChIKeyQXFDHTJRIOXFOU-UHFFFAOYSA-N
XLogP3.23
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane (CID 87630475) is 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane is C=CC1CCC2(C34CC(C=C)CCC3O4)OC2C1.
What is the InChIKey of 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is QXFDHTJRIOXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-11-7-8-15(14(9-11)18-15)16-10-12(4-2)5-6-13(16)17-16/h3-4,11-14H,1-2,5-10H2.
What are the key properties of 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane?
3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 246.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 87630475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).