4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane

C9H14O2 — CID 86623395

IUPAC4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC=COC1CCC2(C)OC2C1
InChIInChI=1S/C9H14O2/c1-3-10-7-4-5-9(2)8(6-7)11-9/h3,7-8H,1,4-6H2,2H3
InChIKeyXXANACGAALOEBT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds2

About 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane

4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 86623395) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID86623395
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC=COC1CCC2(C)OC2C1
InChIInChI=1S/C9H14O2/c1-3-10-7-4-5-9(2)8(6-7)11-9/h3,7-8H,1,4-6H2,2H3
InChIKeyXXANACGAALOEBT-UHFFFAOYSA-N
XLogP1.86
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
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 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane (CID 86623395) is 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane is C=COC1CCC2(C)OC2C1.
What is the InChIKey of 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is XXANACGAALOEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-10-7-4-5-9(2)8(6-7)11-9/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 154.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 86623395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).