6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate

C34H45F8NO8Si — CID 58609424

About 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate

6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 58609424) has the molecular formula C34H45F8NO8Si and a molecular weight of 775.80 g/mol. Its IUPAC name is 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

• Compound Name: 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate
• PubChem CID: 58609424
• Molecular Formula: C34H45F8NO8Si
• Molecular Weight: 775.80 g/mol
• Exact Mass: 775.28
• IUPAC Name: 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate
• SMILES: CCO[Si](CCCNC(=O)OCCCCCCOc1c(F)c(F)c(-c2c(F)c(F)c(OCC3(CC)COC3)c(F)c2F)c(F)c1F)(OCC)OCC
• InChI: InChI=1S/C34H45F8NO8Si/c1-5-34(18-45-19-34)20-48-32-29(41)25(37)22(26(38)30(32)42)21-23(35)27(39)31(28(40)24(21)36)46-15-11-9-10-12-16-47-33(44)43-14-13-17-52(49-6-2,50-7-3)51-8-4/h5-20H2,1-4H3,(H,43,44)
• InChIKey: FOCRSHFEGMMTNU-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 93.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.80
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate?

The IUPAC name of 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate (CID 58609424) is 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate.

What is the SMILES notation for 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate?

The canonical SMILES for 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OCCCCCCOc1c(F)c(F)c(-c2c(F)c(F)c(OCC3(CC)COC3)c(F)c2F)c(F)c1F)(OCC)OCC.

What is the InChIKey of 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate?

The InChIKey is FOCRSHFEGMMTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F8NO8Si/c1-5-34(18-45-19-34)20-48-32-29(41)25(37)22(26(38)30(32)42)21-23(35)27(39)31(28(40)24(21)36)46-15-11-9-10-12-16-47-33(44)43-14-13-17-52(49-6-2,50-7-3)51-8-4/h5-20H2,1-4H3,(H,43,44).

What are the key properties of 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate?

6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 775.80 g/mol, XLogP of 8.38, 23 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-[(3-ethyloxetan-3-yl)methoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]hexyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 58609424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).