(6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol

C30H54O4 — CID 162969027

About (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol

(6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol (PubChem CID 162969027) has the molecular formula C30H54O4 and a molecular weight of 478.76 g/mol. Its IUPAC name is (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol.

Molecular Properties

• Compound Name: (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol
• PubChem CID: 162969027
• Molecular Formula: C30H54O4
• Molecular Weight: 478.76 g/mol
• Exact Mass: 478.40
• IUPAC Name: (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol
• SMILES: CC(C)=CCC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@H](O)[C@](C)(O)CCC=C(C)C
• InChI: InChI=1S/C30H54O4/c1-23(2)13-11-21-29(7,33)27(31)19-17-25(5)15-9-10-16-26(6)18-20-28(32)30(8,34)22-12-14-24(3)4/h13-16,27-28,31-34H,9-12,17-22H2,1-8H3/b25-15+,26-16+/t27-,28-,29-,30+/m0/s1
• InChIKey: NSXPBNHCHCRWKW-FOHVUNMDSA-N
• XLogP: 6.94
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.76
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

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 (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol?

The IUPAC name of (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol (CID 162969027) is (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol.

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

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

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

The InChIKey is NSXPBNHCHCRWKW-FOHVUNMDSA-N. The full InChI is InChI=1S/C30H54O4/c1-23(2)13-11-21-29(7,33)27(31)19-17-25(5)15-9-10-16-26(6)18-20-28(32)30(8,34)22-12-14-24(3)4/h13-16,27-28,31-34H,9-12,17-22H2,1-8H3/b25-15+,26-16+/t27-,28-,29-,30+/m0/s1.

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

(6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol has a molecular weight of 478.76 g/mol, XLogP of 6.94, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol is sourced from PubChem (CID 162969027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).