bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane

C32H59F9O6Si5 — CID 102070617

About bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane

bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 102070617) has the molecular formula C32H59F9O6Si5 and a molecular weight of 851.23 g/mol. Its IUPAC name is bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

• Compound Name: bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
• PubChem CID: 102070617
• Molecular Formula: C32H59F9O6Si5
• Molecular Weight: 851.23 g/mol
• Exact Mass: 850.30
• IUPAC Name: bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
• SMILES: C[Si](C)(CCC1CCC2OC2C1)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CCC1CCC2OC2C1
• InChI: InChI=1S/C32H59F9O6Si5/c1-48(2,17-12-24-8-10-26-28(22-24)42-26)44-50(5,19-14-30(33,34)35)46-52(7,21-16-32(39,40)41)47-51(6,20-15-31(36,37)38)45-49(3,4)18-13-25-9-11-27-29(23-25)43-27/h24-29H,8-23H2,1-7H3
• InChIKey: GXMBMJJEDOUGJI-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 61.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.23
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?

The IUPAC name of bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane (CID 102070617) is bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane.

What is the SMILES notation for bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?

The canonical SMILES for bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane is C[Si](C)(CCC1CCC2OC2C1)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CCC1CCC2OC2C1.

What is the InChIKey of bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?

The InChIKey is GXMBMJJEDOUGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59F9O6Si5/c1-48(2,17-12-24-8-10-26-28(22-24)42-26)44-50(5,19-14-30(33,34)35)46-52(7,21-16-32(39,40)41)47-51(6,20-15-31(36,37)38)45-49(3,4)18-13-25-9-11-27-29(23-25)43-27/h24-29H,8-23H2,1-7H3.

What are the key properties of bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?

bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 851.23 g/mol, XLogP of 11.45, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 102070617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).