triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane

C32H45F9OSi2 — CID 141045117

About triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane

triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane (PubChem CID 141045117) has the molecular formula C32H45F9OSi2 and a molecular weight of 672.87 g/mol. Its IUPAC name is triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane.

Molecular Properties

• Compound Name: triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane
• PubChem CID: 141045117
• Molecular Formula: C32H45F9OSi2
• Molecular Weight: 672.87 g/mol
• Exact Mass: 672.29
• IUPAC Name: triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane
• SMILES: CCCCCCCCC[Si](CC[Si](CC)(CC)CC)(Oc1c(F)c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1F)C(C)C
• InChI: InChI=1S/C32H45F9OSi2/c1-7-11-12-13-14-15-16-17-44(20(5)6,19-18-43(8-2,9-3)10-4)42-32-26(36)22(25(35)29(39)31(32)41)21-23(33)27(37)30(40)28(38)24(21)34/h20H,7-19H2,1-6H3
• InChIKey: VOMMMBLNJOVMHD-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.87
LogP ≤ 5	12.60
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 triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane?

The IUPAC name of triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane (CID 141045117) is triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane.

What is the SMILES notation for triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane?

The canonical SMILES for triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane is CCCCCCCCC[Si](CC[Si](CC)(CC)CC)(Oc1c(F)c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1F)C(C)C.

What is the InChIKey of triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane?

The InChIKey is VOMMMBLNJOVMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45F9OSi2/c1-7-11-12-13-14-15-16-17-44(20(5)6,19-18-43(8-2,9-3)10-4)42-32-26(36)22(25(35)29(39)31(32)41)21-23(33)27(37)30(40)28(38)24(21)34/h20H,7-19H2,1-6H3.

What are the key properties of triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane?

triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane has a molecular weight of 672.87 g/mol, XLogP of 12.60, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane is sourced from PubChem (CID 141045117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).