(6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene

C41H72O — CID 5326733

About (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene

(6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene (PubChem CID 5326733) has the molecular formula C41H72O and a molecular weight of 581.03 g/mol. Its IUPAC name is (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene.

Molecular Properties

• Compound Name: (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene
• PubChem CID: 5326733
• Molecular Formula: C41H72O
• Molecular Weight: 581.03 g/mol
• Exact Mass: 580.56
• IUPAC Name: (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene
• SMILES: COC(C)(C)CCCC(C)CC/C=C(\C)CC/C=C(/C)CCC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C
• InChI: InChI=1S/C41H72O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h20-21,25-27,30,40H,12-19,22-24,28-29,31-33H2,1-11H3/b35-21+,36-25-,37-26-,38-27+,39-30+
• InChIKey: YZZHNFQAQCDIFI-RIWSVLGLSA-N
• XLogP: 13.99
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 24
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.03
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene?

The IUPAC name of (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene (CID 5326733) is (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene.

What is the SMILES notation for (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene?

The canonical SMILES for (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene is COC(C)(C)CCCC(C)CC/C=C(\C)CC/C=C(/C)CCC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C.

What is the InChIKey of (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene?

The InChIKey is YZZHNFQAQCDIFI-RIWSVLGLSA-N. The full InChI is InChI=1S/C41H72O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h20-21,25-27,30,40H,12-19,22-24,28-29,31-33H2,1-11H3/b35-21+,36-25-,37-26-,38-27+,39-30+.

What are the key properties of (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene?

(6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene has a molecular weight of 581.03 g/mol, XLogP of 13.99, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene is sourced from PubChem (CID 5326733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).