(2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol

C30H54O6 — CID 101223934

About (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol

(2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol (PubChem CID 101223934) has the molecular formula C30H54O6 and a molecular weight of 510.76 g/mol. Its IUPAC name is (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol.

Molecular Properties

• Compound Name: (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol
• PubChem CID: 101223934
• Molecular Formula: C30H54O6
• Molecular Weight: 510.76 g/mol
• Exact Mass: 510.39
• IUPAC Name: (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol
• SMILES: C/C(=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO)CO
• InChI: InChI=1S/C30H54O6/c1-23(15-17-27(33)29(5,35)19-9-13-25(3)21-31)11-7-8-12-24(2)16-18-28(34)30(6,36)20-10-14-26(4)22-32/h11-14,27-28,31-36H,7-10,15-22H2,1-6H3/b23-11+,24-12+,25-13+,26-14+/t27-,28-,29-,30-/m0/s1
• InChIKey: VZNMYFXGBPEORA-QNOSAMPKSA-N
• XLogP: 4.88
• TPSA: 121.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.76
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

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 (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol?

The IUPAC name of (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol (CID 101223934) is (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol.

What is the SMILES notation for (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol?

The canonical SMILES for (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol is C/C(=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO)CO.

What is the InChIKey of (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol?

The InChIKey is VZNMYFXGBPEORA-QNOSAMPKSA-N. The full InChI is InChI=1S/C30H54O6/c1-23(15-17-27(33)29(5,35)19-9-13-25(3)21-31)11-7-8-12-24(2)16-18-28(34)30(6,36)20-10-14-26(4)22-32/h11-14,27-28,31-36H,7-10,15-22H2,1-6H3/b23-11+,24-12+,25-13+,26-14+/t27-,28-,29-,30-/m0/s1.

What are the key properties of (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol?

(2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol has a molecular weight of 510.76 g/mol, XLogP of 4.88, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol is sourced from PubChem (CID 101223934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).