3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane

C16H24O2 — CID 154980485

IUPAC3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(OCC1CCC2CC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H24O2/c1-10(12-4-5-15-16(8-12)18-15)17-9-11-2-3-13-7-14(13)6-11/h11-16H,1-9H2
InChIKeyOYLUQUAPZRBUOU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.52
Rot. Bonds4

About 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane

3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 154980485) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID154980485
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(OCC1CCC2CC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H24O2/c1-10(12-4-5-15-16(8-12)18-15)17-9-11-2-3-13-7-14(13)6-11/h11-16H,1-9H2
InChIKeyOYLUQUAPZRBUOU-UHFFFAOYSA-N
XLogP3.52
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane (CID 154980485) is 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane is C=C(OCC1CCC2CC2C1)C1CCC2OC2C1.
What is the InChIKey of 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is OYLUQUAPZRBUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(12-4-5-15-16(8-12)18-15)17-9-11-2-3-13-7-14(13)6-11/h11-16H,1-9H2.
What are the key properties of 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane?
3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 248.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bicyclo[4.1.0]heptanylmethoxy)ethenyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 154980485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).