(6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol

C40H78O — CID 155804487

About (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol

(6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol (PubChem CID 155804487) has the molecular formula C40H78O and a molecular weight of 575.06 g/mol. Its IUPAC name is (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol.

Molecular Properties

• Compound Name: (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
• PubChem CID: 155804487
• Molecular Formula: C40H78O
• Molecular Weight: 575.06 g/mol
• Exact Mass: 574.61
• IUPAC Name: (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
• SMILES: CC(C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O
• InChI: InChI=1S/C40H78O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h13,16,22,28,33-39,41H,11-12,14-15,17-21,23-27,29-32H2,1-10H3/b22-13+,28-16+/t34-,35-,36-,37+,38+,39-/m1/s1
• InChIKey: NKXXNXZGYNRQNV-BTRAWPHCSA-N
• XLogP: 13.36
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 27
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.06
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	1
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 (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol?

The IUPAC name of (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol (CID 155804487) is (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol.

What is the SMILES notation for (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol?

The canonical SMILES for (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol is CC(C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O.

What is the InChIKey of (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol?

The InChIKey is NKXXNXZGYNRQNV-BTRAWPHCSA-N. The full InChI is InChI=1S/C40H78O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h13,16,22,28,33-39,41H,11-12,14-15,17-21,23-27,29-32H2,1-10H3/b22-13+,28-16+/t34-,35-,36-,37+,38+,39-/m1/s1.

What are the key properties of (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol?

(6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol has a molecular weight of 575.06 g/mol, XLogP of 13.36, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,10S,14R,19R,23S,24E,27S,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol is sourced from PubChem (CID 155804487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).