(2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol

C30H54O5 — CID 162969286

About (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol

(2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol (PubChem CID 162969286) has the molecular formula C30H54O5 and a molecular weight of 494.76 g/mol. Its IUPAC name is (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol.

Molecular Properties

• Compound Name: (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol
• PubChem CID: 162969286
• Molecular Formula: C30H54O5
• Molecular Weight: 494.76 g/mol
• Exact Mass: 494.40
• IUPAC Name: (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol
• SMILES: C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O
• InChI: InChI=1S/C30H54O5/c1-23(14-10-16-25(3)18-20-27(32)29(5,6)34)12-8-9-13-24(2)15-11-17-26(4)19-21-28(33)30(7,35)22-31/h12-13,16-17,27-28,31-35H,8-11,14-15,18-22H2,1-7H3/b23-12+,24-13+,25-16+,26-17+/t27-,28-,30-/m0/s1
• InChIKey: WRTOUBQZZGFLLV-GUPFDTIQSA-N
• XLogP: 5.91
• TPSA: 101.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.76
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

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 (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol?

The IUPAC name of (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol (CID 162969286) is (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol.

What is the SMILES notation for (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol?

The canonical SMILES for (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol is C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O.

What is the InChIKey of (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol?

The InChIKey is WRTOUBQZZGFLLV-GUPFDTIQSA-N. The full InChI is InChI=1S/C30H54O5/c1-23(14-10-16-25(3)18-20-27(32)29(5,6)34)12-8-9-13-24(2)15-11-17-26(4)19-21-28(33)30(7,35)22-31/h12-13,16-17,27-28,31-35H,8-11,14-15,18-22H2,1-7H3/b23-12+,24-13+,25-16+,26-17+/t27-,28-,30-/m0/s1.

What are the key properties of (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol?

(2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol has a molecular weight of 494.76 g/mol, XLogP of 5.91, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol is sourced from PubChem (CID 162969286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).