(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene

C40H64 — CID 173080866

About (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene

(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene (PubChem CID 173080866) has the molecular formula C40H64 and a molecular weight of 544.95 g/mol. Its IUPAC name is (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene.

Molecular Properties

• Compound Name: (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene
• PubChem CID: 173080866
• Molecular Formula: C40H64
• Molecular Weight: 544.95 g/mol
• Exact Mass: 544.50
• IUPAC Name: (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene
• SMILES: CC(C)=CCCC(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)CCC=C(C)C
• InChI: InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-26,29-30,37-38H,13-14,17-18,23-24,27-28,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,39-29+,40-30+
• InChIKey: GMJBUMYIDFXVIA-HBEBWKDHSA-N
• XLogP: 13.55
• TPSA: 0.00 Ų
• Rotatable Bonds: 20
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.95
LogP ≤ 5	13.55
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 (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene?

The IUPAC name of (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene (CID 173080866) is (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene.

What is the SMILES notation for (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene?

The canonical SMILES for (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene is CC(C)=CCCC(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)CCC=C(C)C.

What is the InChIKey of (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene?

The InChIKey is GMJBUMYIDFXVIA-HBEBWKDHSA-N. The full InChI is InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-26,29-30,37-38H,13-14,17-18,23-24,27-28,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,39-29+,40-30+.

What are the key properties of (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene?

(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene has a molecular weight of 544.95 g/mol, XLogP of 13.55, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene is sourced from PubChem (CID 173080866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).