cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane

C38H70F4OSi3 — CID 173235264

About cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane

cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane (PubChem CID 173235264) has the molecular formula C38H70F4OSi3 and a molecular weight of 703.23 g/mol. Its IUPAC name is cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane.

Molecular Properties

• Compound Name: cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane
• PubChem CID: 173235264
• Molecular Formula: C38H70F4OSi3
• Molecular Weight: 703.23 g/mol
• Exact Mass: 702.47
• IUPAC Name: cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane
• SMILES: CC[Si](C)(CC)CCCCCCCC[Si](CCCCCCCC[Si](C)(CC)CC)(Oc1c(F)cc(F)c(F)c1F)C1CCCCC1
• InChI: InChI=1S/C38H70F4OSi3/c1-7-44(5,8-2)28-22-15-11-13-17-24-30-46(33-26-20-19-21-27-33,43-38-35(40)32-34(39)36(41)37(38)42)31-25-18-14-12-16-23-29-45(6,9-3)10-4/h32-33H,7-31H2,1-6H3
• InChIKey: AJBRSVSZCLCILU-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 25
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.23
LogP ≤ 5	14.82
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': 'halogenated_ring_2', '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]-(2,3,4,6-tetrafluorophenoxy)silane?

The IUPAC name of cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane (CID 173235264) is cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane.

What is the SMILES notation for cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane?

The canonical SMILES for cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane is CC[Si](C)(CC)CCCCCCCC[Si](CCCCCCCC[Si](C)(CC)CC)(Oc1c(F)cc(F)c(F)c1F)C1CCCCC1.

What is the InChIKey of cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane?

The InChIKey is AJBRSVSZCLCILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70F4OSi3/c1-7-44(5,8-2)28-22-15-11-13-17-24-30-46(33-26-20-19-21-27-33,43-38-35(40)32-34(39)36(41)37(38)42)31-25-18-14-12-16-23-29-45(6,9-3)10-4/h32-33H,7-31H2,1-6H3.

What are the key properties of cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane?

cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane has a molecular weight of 703.23 g/mol, XLogP of 14.82, 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]-(2,3,4,6-tetrafluorophenoxy)silane is sourced from PubChem (CID 173235264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).