(2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol

C45H86O8 — CID 10580943

About (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol

(2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol (PubChem CID 10580943) has the molecular formula C45H86O8 and a molecular weight of 755.17 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol.

Molecular Properties

• Compound Name: (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol
• PubChem CID: 10580943
• Molecular Formula: C45H86O8
• Molecular Weight: 755.17 g/mol
• Exact Mass: 754.63
• IUPAC Name: (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol
• SMILES: C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(C)(C)O
• InChI: InChI=1S/C45H86O8/c1-36(19-12-21-38(3)24-35-46)18-11-20-37(2)22-13-25-41(6,49)26-14-27-42(7,50)28-15-29-43(8,51)30-16-31-44(9,52)32-17-33-45(10,53)34-23-39(47)40(4,5)48/h19-20,24,39,46-53H,11-18,21-23,25-35H2,1-10H3/b36-19+,37-20+,38-24+
• InChIKey: OTYYBSNNSCTJCO-WXNAAJQBSA-N
• XLogP: 8.90
• TPSA: 161.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 31
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	755.17
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol?

The IUPAC name of (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol (CID 10580943) is (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol.

What is the SMILES notation for (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol?

The canonical SMILES for (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(C)(C)O.

What is the InChIKey of (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol?

The InChIKey is OTYYBSNNSCTJCO-WXNAAJQBSA-N. The full InChI is InChI=1S/C45H86O8/c1-36(19-12-21-38(3)24-35-46)18-11-20-37(2)22-13-25-41(6,49)26-14-27-42(7,50)28-15-29-43(8,51)30-16-31-44(9,52)32-17-33-45(10,53)34-23-39(47)40(4,5)48/h19-20,24,39,46-53H,11-18,21-23,25-35H2,1-10H3/b36-19+,37-20+,38-24+.

What are the key properties of (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol?

(2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol has a molecular weight of 755.17 g/mol, XLogP of 8.90, 31 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10-triene-1,15,19,23,27,31,34,35-octol is sourced from PubChem (CID 10580943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).