3-(methoxymethylidene)bicyclo[3.2.1]octane

C₁₀H₁₆O — CID 154370383

About 3-(methoxymethylidene)bicyclo[3.2.1]octane

3-(methoxymethylidene)bicyclo[3.2.1]octane (PubChem CID 154370383) has the molecular formula C₁₀H₁₆O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(methoxymethylidene)bicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 3-(methoxymethylidene)bicyclo[3.2.1]octane
• PubChem CID: 154370383
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.24 g/mol
• Exact Mass: 152.12
• IUPAC Name: 3-(methoxymethylidene)bicyclo[3.2.1]octane
• SMILES: COC=C1CC2CCC(C1)C2
• InChI: InChI=1S/C10H16O/c1-11-7-10-5-8-2-3-9(4-8)6-10/h7-9H,2-6H2,1H3
• InChIKey: YMELYDATHQYGPV-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.24
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)bicyclo[3.2.1]octane?

The IUPAC name of 3-(methoxymethylidene)bicyclo[3.2.1]octane (CID 154370383) is 3-(methoxymethylidene)bicyclo[3.2.1]octane.

What is the SMILES notation for 3-(methoxymethylidene)bicyclo[3.2.1]octane?

The canonical SMILES for 3-(methoxymethylidene)bicyclo[3.2.1]octane is COC=C1CC2CCC(C1)C2.

What is the InChIKey of 3-(methoxymethylidene)bicyclo[3.2.1]octane?

The InChIKey is YMELYDATHQYGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-11-7-10-5-8-2-3-9(4-8)6-10/h7-9H,2-6H2,1H3.

What are the key properties of 3-(methoxymethylidene)bicyclo[3.2.1]octane?

3-(methoxymethylidene)bicyclo[3.2.1]octane has a molecular weight of 152.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methoxymethylidene)bicyclo[3.2.1]octane is sourced from PubChem (CID 154370383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154370383 — identifiers, structure, computed properties (public domain)

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