(1R)-1-butyl-2-methylidenecycloheptane

C₁₂H₂₂ — CID 134979565

About (1R)-1-butyl-2-methylidenecycloheptane

(1R)-1-butyl-2-methylidenecycloheptane (PubChem CID 134979565) has the molecular formula C₁₂H₂₂ and a molecular weight of 166.31 g/mol. Its IUPAC name is (1R)-1-butyl-2-methylidenecycloheptane.

Molecular Properties

• Compound Name: (1R)-1-butyl-2-methylidenecycloheptane
• PubChem CID: 134979565
• Molecular Formula: C₁₂H₂₂
• Molecular Weight: 166.31 g/mol
• Exact Mass: 166.17
• IUPAC Name: (1R)-1-butyl-2-methylidenecycloheptane
• SMILES: C=C1CCCCC[C@H]1CCCC
• InChI: InChI=1S/C12H22/c1-3-4-9-12-10-7-5-6-8-11(12)2/h12H,2-10H2,1H3/t12-/m1/s1
• InChIKey: AQAKIKYAKFNIPU-GFCCVEGCSA-N
• XLogP: 4.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.31
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-butyl-2-methylidenecycloheptane?

The IUPAC name of (1R)-1-butyl-2-methylidenecycloheptane (CID 134979565) is (1R)-1-butyl-2-methylidenecycloheptane.

What is the SMILES notation for (1R)-1-butyl-2-methylidenecycloheptane?

The canonical SMILES for (1R)-1-butyl-2-methylidenecycloheptane is C=C1CCCCC[C@H]1CCCC.

What is the InChIKey of (1R)-1-butyl-2-methylidenecycloheptane?

The InChIKey is AQAKIKYAKFNIPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22/c1-3-4-9-12-10-7-5-6-8-11(12)2/h12H,2-10H2,1H3/t12-/m1/s1.

What are the key properties of (1R)-1-butyl-2-methylidenecycloheptane?

(1R)-1-butyl-2-methylidenecycloheptane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-butyl-2-methylidenecycloheptane is sourced from PubChem (CID 134979565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134979565 — identifiers, structure, computed properties (public domain)

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