2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol

C46H66O2 — CID 162975214

About 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol

2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol (PubChem CID 162975214) has the molecular formula C46H66O2 and a molecular weight of 651.03 g/mol. Its IUPAC name is 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol.

Molecular Properties

• Compound Name: 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol
• PubChem CID: 162975214
• Molecular Formula: C46H66O2
• Molecular Weight: 651.03 g/mol
• Exact Mass: 650.51
• IUPAC Name: 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol
• SMILES: COc1cc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c2ccccc12
• InChI: InChI=1S/C46H66O2/c1-35(2)18-12-19-36(3)20-13-21-37(4)22-14-23-38(5)24-15-25-39(6)26-16-27-40(7)28-17-29-41(8)32-33-42-34-45(48-9)43-30-10-11-31-44(43)46(42)47/h10-11,18,20,22,24,26,28,30-32,34,47H,12-17,19,21,23,25,27,29,33H2,1-9H3
• InChIKey: RRELZXNTKGBBTR-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 21
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.03
LogP ≤ 5	14.42
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-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol?

The IUPAC name of 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol (CID 162975214) is 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol.

What is the SMILES notation for 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol?

The canonical SMILES for 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol is COc1cc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c2ccccc12.

What is the InChIKey of 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol?

The InChIKey is RRELZXNTKGBBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H66O2/c1-35(2)18-12-19-36(3)20-13-21-37(4)22-14-23-38(5)24-15-25-39(6)26-16-27-40(7)28-17-29-41(8)32-33-42-34-45(48-9)43-30-10-11-31-44(43)46(42)47/h10-11,18,20,22,24,26,28,30-32,34,47H,12-17,19,21,23,25,27,29,33H2,1-9H3.

What are the key properties of 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol?

2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol has a molecular weight of 651.03 g/mol, XLogP of 14.42, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol is sourced from PubChem (CID 162975214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).