(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol

C₁₉H₂₆O — CID 11369258

About (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol

(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol (PubChem CID 11369258) has the molecular formula C₁₉H₂₆O and a molecular weight of 270.42 g/mol. Its IUPAC name is (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol.

Molecular Properties

• Compound Name: (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol
• PubChem CID: 11369258
• Molecular Formula: C₁₉H₂₆O
• Molecular Weight: 270.42 g/mol
• Exact Mass: 270.20
• IUPAC Name: (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol
• SMILES: CCCCCCC1=CCCC(O)/C1=C/c1ccccc1
• InChI: InChI=1S/C19H26O/c1-2-3-4-8-12-17-13-9-14-19(20)18(17)15-16-10-6-5-7-11-16/h5-7,10-11,13,15,19-20H,2-4,8-9,12,14H2,1H3/b18-15+
• InChIKey: QNGQTRQJGQEJHJ-OBGWFSINSA-N
• XLogP: 5.12
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	270.42
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?

The IUPAC name of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol (CID 11369258) is (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol.

What is the SMILES notation for (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?

The canonical SMILES for (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol is CCCCCCC1=CCCC(O)/C1=C/c1ccccc1.

What is the InChIKey of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?

The InChIKey is QNGQTRQJGQEJHJ-OBGWFSINSA-N. The full InChI is InChI=1S/C19H26O/c1-2-3-4-8-12-17-13-9-14-19(20)18(17)15-16-10-6-5-7-11-16/h5-7,10-11,13,15,19-20H,2-4,8-9,12,14H2,1H3/b18-15+.

What are the key properties of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?

(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol is sourced from PubChem (CID 11369258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11369258 — identifiers, structure, computed properties (public domain)

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