2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene

C40H62 — CID 163002608

About 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene

2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (PubChem CID 163002608) has the molecular formula C40H62 and a molecular weight of 542.94 g/mol. Its IUPAC name is 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene.

Molecular Properties

• Compound Name: 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
• PubChem CID: 163002608
• Molecular Formula: C40H62
• Molecular Weight: 542.94 g/mol
• Exact Mass: 542.49
• IUPAC Name: 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
• SMILES: CC=C(C)CCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
• InChI: InChI=1S/C40H62/c1-11-34(4)31-32-40(10)30-18-29-39(9)27-16-24-36(6)21-13-12-20-35(5)23-15-26-38(8)28-17-25-37(7)22-14-19-33(2)3/h11-13,15,19-21,23,25-27,30H,14,16-18,22,24,28-29,31-32H2,1-10H3
• InChIKey: ZOVKFJZVULUMOX-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.94
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene?

The IUPAC name of 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (CID 163002608) is 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene.

What is the SMILES notation for 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene?

The canonical SMILES for 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene is CC=C(C)CCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C.

What is the InChIKey of 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene?

The InChIKey is ZOVKFJZVULUMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H62/c1-11-34(4)31-32-40(10)30-18-29-39(9)27-16-24-36(6)21-13-12-20-35(5)23-15-26-38(8)28-17-25-37(7)22-14-19-33(2)3/h11-13,15,19-21,23,25-27,30H,14,16-18,22,24,28-29,31-32H2,1-10H3.

What are the key properties of 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene?

2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene has a molecular weight of 542.94 g/mol, XLogP of 13.61, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene is sourced from PubChem (CID 163002608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).