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

C15H22O2 — CID 123650706

IUPAC4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1CCC2(CC3CCC4OC4C3)OC2C1
InChIInChI=1S/C15H22O2/c1-2-10-5-6-15(14(8-10)17-15)9-11-3-4-12-13(7-11)16-12/h2,10-14H,1,3-9H2
InChIKeyQXVJUAKNURMLNJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.07
Rot. Bonds3

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

4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 123650706) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID123650706
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1CCC2(CC3CCC4OC4C3)OC2C1
InChIInChI=1S/C15H22O2/c1-2-10-5-6-15(14(8-10)17-15)9-11-3-4-12-13(7-11)16-12/h2,10-14H,1,3-9H2
InChIKeyQXVJUAKNURMLNJ-UHFFFAOYSA-N
XLogP3.07
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.07
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 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane (CID 123650706) is 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane is C=CC1CCC2(CC3CCC4OC4C3)OC2C1.
What is the InChIKey of 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is QXVJUAKNURMLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-10-5-6-15(14(8-10)17-15)9-11-3-4-12-13(7-11)16-12/h2,10-14H,1,3-9H2.
What are the key properties of 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 234.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 123650706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).