4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane

C38H66F2OSi2 — CID 69029811

About 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane

4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane (PubChem CID 69029811) has the molecular formula C38H66F2OSi2 and a molecular weight of 633.11 g/mol. Its IUPAC name is 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane.

Molecular Properties

• Compound Name: 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane
• PubChem CID: 69029811
• Molecular Formula: C38H66F2OSi2
• Molecular Weight: 633.11 g/mol
• Exact Mass: 632.46
• IUPAC Name: 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane
• SMILES: CCCC1CCC(C2CC=C(c3ccc(OCCCC[Si](C)(C)CCC[Si](C)(C)CCC(C)CC)c(F)c3F)CC2)CC1
• InChI: InChI=1S/C38H66F2OSi2/c1-8-13-31-14-16-32(17-15-31)33-18-20-34(21-19-33)35-22-23-36(38(40)37(35)39)41-25-10-11-26-42(4,5)27-12-28-43(6,7)29-24-30(3)9-2/h20,22-23,30-33H,8-19,21,24-29H2,1-7H3
• InChIKey: YNJHVMPLMMULNL-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.11
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane?

The IUPAC name of 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane (CID 69029811) is 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane.

What is the SMILES notation for 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane?

The canonical SMILES for 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane is CCCC1CCC(C2CC=C(c3ccc(OCCCC[Si](C)(C)CCC[Si](C)(C)CCC(C)CC)c(F)c3F)CC2)CC1.

What is the InChIKey of 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane?

The InChIKey is YNJHVMPLMMULNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H66F2OSi2/c1-8-13-31-14-16-32(17-15-31)33-18-20-34(21-19-33)35-22-23-36(38(40)37(35)39)41-25-10-11-26-42(4,5)27-12-28-43(6,7)29-24-30(3)9-2/h20,22-23,30-33H,8-19,21,24-29H2,1-7H3.

What are the key properties of 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane?

4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane has a molecular weight of 633.11 g/mol, XLogP of 13.16, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane is sourced from PubChem (CID 69029811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).