(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol

C30H52O2 — CID 10456150

About (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol

(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol (PubChem CID 10456150) has the molecular formula C30H52O2 and a molecular weight of 444.74 g/mol. Its IUPAC name is (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol.

Molecular Properties

• Compound Name: (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
• PubChem CID: 10456150
• Molecular Formula: C30H52O2
• Molecular Weight: 444.74 g/mol
• Exact Mass: 444.40
• IUPAC Name: (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C30H52O2/c1-24(2)14-9-16-26(5)18-11-19-27(6)20-12-22-29(31)30(8,32)23-13-21-28(7)17-10-15-25(3)4/h14-15,18,20-21,29,31-32H,9-13,16-17,19,22-23H2,1-8H3/b26-18+,27-20+,28-21+/t29-,30-/m0/s1
• InChIKey: DKVIPPGREJURCX-AOBNKQRJSA-N
• XLogP: 8.77
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.74
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol?

The IUPAC name of (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol (CID 10456150) is (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol.

What is the SMILES notation for (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol?

The canonical SMILES for (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CCC=C(C)C.

What is the InChIKey of (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol?

The InChIKey is DKVIPPGREJURCX-AOBNKQRJSA-N. The full InChI is InChI=1S/C30H52O2/c1-24(2)14-9-16-26(5)18-11-19-27(6)20-12-22-29(31)30(8,32)23-13-21-28(7)17-10-15-25(3)4/h14-15,18,20-21,29,31-32H,9-13,16-17,19,22-23H2,1-8H3/b26-18+,27-20+,28-21+/t29-,30-/m0/s1.

What are the key properties of (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol?

(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol has a molecular weight of 444.74 g/mol, XLogP of 8.77, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol is sourced from PubChem (CID 10456150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).