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

C15H22O3 — CID 89269188

IUPAC3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C15H22O3/c1-9(11-3-5-13-15(7-11)18-13)16-8-10-2-4-12-14(6-10)17-12/h10-15H,1-8H2
InChIKeyWXGXADSWMJSHHS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.65
Rot. Bonds4

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

3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 89269188) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID89269188
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C15H22O3/c1-9(11-3-5-13-15(7-11)18-13)16-8-10-2-4-12-14(6-10)17-12/h10-15H,1-8H2
InChIKeyWXGXADSWMJSHHS-UHFFFAOYSA-N
XLogP2.65
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-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 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane (CID 89269188) is 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane is C=C(OCC1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is WXGXADSWMJSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(11-3-5-13-15(7-11)18-13)16-8-10-2-4-12-14(6-10)17-12/h10-15H,1-8H2.
What are the key properties of 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane?
3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 250.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenoxymethyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89269188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).