Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane

C₁₁H₁₈O — CID 71351505

About Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane

Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane (PubChem CID 71351505) has the molecular formula C₁₁H₁₈O and a molecular weight of 166.26 g/mol. Its IUPAC name is cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

• Compound Name: Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
• PubChem CID: 71351505
• Molecular Formula: C₁₁H₁₈O
• Molecular Weight: 166.26 g/mol
• Exact Mass: 166.14
• IUPAC Name: cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
• SMILES: C=C(C)[C@@H]1CCC(=C)[C@@H](OC)C1
• InChI: InChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m1/s1
• InChIKey: BBBJVUGHPCCGOB-MNOVXSKESA-N
• XLogP: 2.93
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.26
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?

The IUPAC name of Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane (CID 71351505) is cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane.

What is the SMILES notation for Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?

The canonical SMILES for Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane is C=C(C)[C@@H]1CCC(=C)[C@@H](OC)C1.

What is the InChIKey of Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?

The InChIKey is BBBJVUGHPCCGOB-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m1/s1.

What are the key properties of Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?

Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane has a molecular weight of 166.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 71351505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71351505 — identifiers, structure, computed properties (public domain)

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