1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane

C16H24O2 — CID 89274736

About 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane

1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 89274736) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

• Compound Name: 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane
• PubChem CID: 89274736
• Molecular Formula: C16H24O2
• Molecular Weight: 248.37 g/mol
• Exact Mass: 248.18
• IUPAC Name: 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane
• SMILES: C=C(C1CCC2OC2(C)C1)C1CCCC2(C)OC12
• InChI: InChI=1S/C16H24O2/c1-10(11-6-7-13-16(3,9-11)17-13)12-5-4-8-15(2)14(12)18-15/h11-14H,1,4-9H2,2-3H3
• InChIKey: LDBBBZXSJFDOMV-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 25.06 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.37
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?

The IUPAC name of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane (CID 89274736) is 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane.

What is the SMILES notation for 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?

The canonical SMILES for 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane is C=C(C1CCC2OC2(C)C1)C1CCCC2(C)OC12.

What is the InChIKey of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?

The InChIKey is LDBBBZXSJFDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(11-6-7-13-16(3,9-11)17-13)12-5-4-8-15(2)14(12)18-15/h11-14H,1,4-9H2,2-3H3.

What are the key properties of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?

1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 248.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89274736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).