(4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene

C42H64O2 — CID 156583290

About (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene

(4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene (PubChem CID 156583290) has the molecular formula C42H64O2 and a molecular weight of 600.97 g/mol. Its IUPAC name is (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene.

Molecular Properties

• Compound Name: (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene
• PubChem CID: 156583290
• Molecular Formula: C42H64O2
• Molecular Weight: 600.97 g/mol
• Exact Mass: 600.49
• IUPAC Name: (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene
• SMILES: COC(C)(C)C/C=C\C(C)=C\C=C\C(C)=C\CC/C(C)=C/C=C\C=C(C)\C=C\C=C(/C)CC/C=C(C)/C=C/CC(C)(C)OC
• InChI: InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-15,18-23,25-26,28-32H,16-17,24,27,33-34H2,1-12H3/b14-13-,23-15+,28-18+,31-19+,32-20-,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
• InChIKey: FXWXZPPBTBWNSL-CNUDMBOZSA-N
• XLogP: 12.64
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 20
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.97
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene?

The IUPAC name of (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene (CID 156583290) is (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene.

What is the SMILES notation for (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene?

The canonical SMILES for (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene is COC(C)(C)C/C=C\C(C)=C\C=C\C(C)=C\CC/C(C)=C/C=C\C=C(C)\C=C\C=C(/C)CC/C=C(C)/C=C/CC(C)(C)OC.

What is the InChIKey of (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene?

The InChIKey is FXWXZPPBTBWNSL-CNUDMBOZSA-N. The full InChI is InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-15,18-23,25-26,28-32H,16-17,24,27,33-34H2,1-12H3/b14-13-,23-15+,28-18+,31-19+,32-20-,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+.

What are the key properties of (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene?

(4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene has a molecular weight of 600.97 g/mol, XLogP of 12.64, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene is sourced from PubChem (CID 156583290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).