3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane

C8H14O2 — CID 59104463

IUPAC3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCOC1CC2OC2CC1C
InChIInChI=1S/C8H14O2/c1-5-3-7-8(10-7)4-6(5)9-2/h5-8H,3-4H2,1-2H3
InChIKeyPOXPUTHMPABION-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds1

About 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane

3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 59104463) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID59104463
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCOC1CC2OC2CC1C
InChIInChI=1S/C8H14O2/c1-5-3-7-8(10-7)4-6(5)9-2/h5-8H,3-4H2,1-2H3
InChIKeyPOXPUTHMPABION-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-methoxy-4-methyl-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-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane (CID 59104463) is 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane is COC1CC2OC2CC1C.
What is the InChIKey of 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is POXPUTHMPABION-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-3-7-8(10-7)4-6(5)9-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane?
3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59104463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).