(6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene

C41H66O — CID 155926557

About (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene

(6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene (PubChem CID 155926557) has the molecular formula C41H66O and a molecular weight of 574.98 g/mol. Its IUPAC name is (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene.

Molecular Properties

• Compound Name: (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene
• PubChem CID: 155926557
• Molecular Formula: C41H66O
• Molecular Weight: 574.98 g/mol
• Exact Mass: 574.51
• IUPAC Name: (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene
• SMILES: COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/CCCC(C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C
• InChI: InChI=1S/C41H66O/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/h16,18-20,22,25-28,30-32,35H,12-15,17,21,23-24,29,33H2,1-11H3/b25-16+,30-18+,32-19+,36-22+,37-26-,38-27+,39-28+,40-31+
• InChIKey: CTCZZVHXUPNECL-UILNHVFCSA-N
• XLogP: 13.31
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 21
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.98
LogP ≤ 5	13.31
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene?

The IUPAC name of (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene (CID 155926557) is (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene.

What is the SMILES notation for (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene?

The canonical SMILES for (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene is COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/CCCC(C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C.

What is the InChIKey of (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene?

The InChIKey is CTCZZVHXUPNECL-UILNHVFCSA-N. The full InChI is InChI=1S/C41H66O/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/h16,18-20,22,25-28,30-32,35H,12-15,17,21,23-24,29,33H2,1-11H3/b25-16+,30-18+,32-19+,36-22+,37-26-,38-27+,39-28+,40-31+.

What are the key properties of (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene?

(6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene has a molecular weight of 574.98 g/mol, XLogP of 13.31, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene is sourced from PubChem (CID 155926557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).