cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane

C41H70F6OSi3 — CID 173235457

About cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane

cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane (PubChem CID 173235457) has the molecular formula C41H70F6OSi3 and a molecular weight of 777.26 g/mol. Its IUPAC name is cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane.

Molecular Properties

• Compound Name: cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane
• PubChem CID: 173235457
• Molecular Formula: C41H70F6OSi3
• Molecular Weight: 777.26 g/mol
• Exact Mass: 776.46
• IUPAC Name: cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane
• SMILES: CC[Si](C)(CC)CCCCCCCC[Si](CCCCCCCC[Si](C)(CC)CC)(Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)C1CCCCC1
• InChI: InChI=1S/C41H70F6OSi3/c1-7-49(5,8-2)28-22-15-11-13-17-24-30-51(32-26-20-19-21-27-32,31-25-18-14-12-16-23-29-50(6,9-3)10-4)48-41-38(45)34-33(37(44)40(41)47)35(42)39(46)36(34)43/h32,35H,7-31H2,1-6H3
• InChIKey: FAIOJPCHAWUESP-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 25
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.26
LogP ≤ 5	16.31
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane?

The IUPAC name of cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane (CID 173235457) is cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane.

What is the SMILES notation for cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane?

The canonical SMILES for cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane is CC[Si](C)(CC)CCCCCCCC[Si](CCCCCCCC[Si](C)(CC)CC)(Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)C1CCCCC1.

What is the InChIKey of cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane?

The InChIKey is FAIOJPCHAWUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H70F6OSi3/c1-7-49(5,8-2)28-22-15-11-13-17-24-30-51(32-26-20-19-21-27-32,31-25-18-14-12-16-23-29-50(6,9-3)10-4)48-41-38(45)34-33(37(44)40(41)47)35(42)39(46)36(34)43/h32,35H,7-31H2,1-6H3.

What are the key properties of cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane?

cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane has a molecular weight of 777.26 g/mol, XLogP of 16.31, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]silane is sourced from PubChem (CID 173235457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).