(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol

C₂₇H₃₄O — CID 122186592

About (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol

(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol (PubChem CID 122186592) has the molecular formula C₂₇H₃₄O and a molecular weight of 374.57 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol.

Molecular Properties

• Compound Name: (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol
• PubChem CID: 122186592
• Molecular Formula: C₂₇H₃₄O
• Molecular Weight: 374.57 g/mol
• Exact Mass: 374.26
• IUPAC Name: (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol
• SMILES: C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C27H34O/c1-22(9-7-11-23(2)19-20-28)10-8-12-24(3)21-25-15-17-27(18-16-25)26-13-5-4-6-14-26/h4-6,9,12-19,28H,7-8,10-11,20-21H2,1-3H3/b22-9+,23-19+,24-12+
• InChIKey: QSBGLCPILUAUCH-WXCJWQIYSA-N
• XLogP: 7.29
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.57
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
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 (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?

The IUPAC name of (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol (CID 122186592) is (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol.

What is the SMILES notation for (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?

The canonical SMILES for (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1.

What is the InChIKey of (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?

The InChIKey is QSBGLCPILUAUCH-WXCJWQIYSA-N. The full InChI is InChI=1S/C27H34O/c1-22(9-7-11-23(2)19-20-28)10-8-12-24(3)21-25-15-17-27(18-16-25)26-13-5-4-6-14-26/h4-6,9,12-19,28H,7-8,10-11,20-21H2,1-3H3/b22-9+,23-19+,24-12+.

What are the key properties of (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?

(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol has a molecular weight of 374.57 g/mol, XLogP of 7.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 122186592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122186592 — identifiers, structure, computed properties (public domain)

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