2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol

C39H56O2 — CID 102439475

About 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol (PubChem CID 102439475) has the molecular formula C39H56O2 and a molecular weight of 556.88 g/mol. Its IUPAC name is 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol.

Molecular Properties

• Compound Name: 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol
• PubChem CID: 102439475
• Molecular Formula: C39H56O2
• Molecular Weight: 556.88 g/mol
• Exact Mass: 556.43
• IUPAC Name: 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1C=Cc2cc(O)ccc2O1
• InChI: InChI=1S/C39H56O2/c1-30(2)13-8-14-31(3)15-9-16-32(4)17-10-18-33(5)19-11-20-34(6)21-12-22-35(7)23-26-38-27-24-36-29-37(40)25-28-39(36)41-38/h13,15,17,19,21,23-25,27-29,38,40H,8-12,14,16,18,20,22,26H2,1-7H3/b31-15+,32-17+,33-19+,34-21+,35-23+
• InChIKey: QFSYDJZCYMEOGR-NABOLCEGSA-N
• XLogP: 12.16
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.88
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	1
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 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol?

The IUPAC name of 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol (CID 102439475) is 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol.

What is the SMILES notation for 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol?

The canonical SMILES for 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1C=Cc2cc(O)ccc2O1.

What is the InChIKey of 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol?

The InChIKey is QFSYDJZCYMEOGR-NABOLCEGSA-N. The full InChI is InChI=1S/C39H56O2/c1-30(2)13-8-14-31(3)15-9-16-32(4)17-10-18-33(5)19-11-20-34(6)21-12-22-35(7)23-26-38-27-24-36-29-37(40)25-28-39(36)41-38/h13,15,17,19,21,23-25,27-29,38,40H,8-12,14,16,18,20,22,26H2,1-7H3/b31-15+,32-17+,33-19+,34-21+,35-23+.

What are the key properties of 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol?

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol has a molecular weight of 556.88 g/mol, XLogP of 12.16, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol is sourced from PubChem (CID 102439475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).