5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan

C40H56O — CID 76625906

About 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan

5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan (PubChem CID 76625906) has the molecular formula C40H56O and a molecular weight of 552.89 g/mol. Its IUPAC name is 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan.

Molecular Properties

• Compound Name: 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan
• PubChem CID: 76625906
• Molecular Formula: C40H56O
• Molecular Weight: 552.89 g/mol
• Exact Mass: 552.43
• IUPAC Name: 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan
• SMILES: CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C1C=CC(C)(CCC=C(C)C)O1
• InChI: InChI=1S/C40H56O/c1-32(2)18-13-22-36(7)24-15-26-37(8)25-14-23-34(5)20-11-12-21-35(6)27-16-28-38(9)39-29-31-40(10,41-39)30-17-19-33(3)4/h11-12,14-16,18-21,23-29,31,39H,13,17,22,30H2,1-10H3
• InChIKey: AFCZCLRSUMCWPJ-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.89
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan?

The IUPAC name of 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan (CID 76625906) is 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan.

What is the SMILES notation for 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan?

The canonical SMILES for 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan is CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C1C=CC(C)(CCC=C(C)C)O1.

What is the InChIKey of 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan?

The InChIKey is AFCZCLRSUMCWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H56O/c1-32(2)18-13-22-36(7)24-15-26-37(8)25-14-23-34(5)20-11-12-21-35(6)27-16-28-38(9)39-29-31-40(10,41-39)30-17-19-33(3)4/h11-12,14-16,18-21,23-29,31,39H,13,17,22,30H2,1-10H3.

What are the key properties of 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan?

5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan has a molecular weight of 552.89 g/mol, XLogP of 12.15, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-(4-methylpent-3-enyl)-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan is sourced from PubChem (CID 76625906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).