1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene

C35H64 — CID 101380860

About 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene

1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene (PubChem CID 101380860) has the molecular formula C35H64 and a molecular weight of 484.90 g/mol. Its IUPAC name is 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene.

Molecular Properties

• Compound Name: 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
• PubChem CID: 101380860
• Molecular Formula: C35H64
• Molecular Weight: 484.90 g/mol
• Exact Mass: 484.50
• IUPAC Name: 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
• SMILES: C=C(CC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1CC=C(C)CC1
• InChI: InChI=1S/C35H64/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h22,24,28-31,35H,8-21,23,25-27H2,1-7H3/b32-22+
• InChIKey: HYJZKCOWAKHVCB-WEMUVCOSSA-N
• XLogP: 12.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 20
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.90
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?

The IUPAC name of 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene (CID 101380860) is 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene.

What is the SMILES notation for 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?

The canonical SMILES for 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene is C=C(CC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1CC=C(C)CC1.

What is the InChIKey of 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?

The InChIKey is HYJZKCOWAKHVCB-WEMUVCOSSA-N. The full InChI is InChI=1S/C35H64/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h22,24,28-31,35H,8-21,23,25-27H2,1-7H3/b32-22+.

What are the key properties of 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?

1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene has a molecular weight of 484.90 g/mol, XLogP of 12.26, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene is sourced from PubChem (CID 101380860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).