methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane

C17H18F18O3Si4 — CID 174151886

IUPACmethyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane
SMILESC[Si](CCC(F)(F)F)(O[Si](C)(O[Si](C)(C(F)(F)F)C(F)(F)F)c1cc(F)c(F)c(F)c1)O[Si](C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H18F18O3Si4/c1-39(6-5-13(21,22)23,37-41(3,14(24,25)26)15(27,28)29)36-40(2,9-7-10(18)12(20)11(19)8-9)38-42(4,16(30,31)32)17(33,34)35/h7-8H,5-6H2,1-4H3
InChIKeyALOFHWRPHCATOD-UHFFFAOYSA-N
MW724.64 g/mol
LogP8.01
Rot. Bonds9

About methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane

methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane (PubChem CID 174151886) has the molecular formula C17H18F18O3Si4 and a molecular weight of 724.64 g/mol. Its IUPAC name is methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namemethyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane
PubChem CID174151886
Molecular FormulaC17H18F18O3Si4
Molecular Weight724.64 g/mol
Exact Mass724.00
IUPAC Namemethyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane
SMILESC[Si](CCC(F)(F)F)(O[Si](C)(O[Si](C)(C(F)(F)F)C(F)(F)F)c1cc(F)c(F)c(F)c1)O[Si](C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H18F18O3Si4/c1-39(6-5-13(21,22)23,37-41(3,14(24,25)26)15(27,28)29)36-40(2,9-7-10(18)12(20)11(19)8-9)38-42(4,16(30,31)32)17(33,34)35/h7-8H,5-6H2,1-4H3
InChIKeyALOFHWRPHCATOD-UHFFFAOYSA-N
XLogP8.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.64
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane?
The IUPAC name of methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane (CID 174151886) is methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane is C[Si](CCC(F)(F)F)(O[Si](C)(O[Si](C)(C(F)(F)F)C(F)(F)F)c1cc(F)c(F)c(F)c1)O[Si](C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane?
The InChIKey is ALOFHWRPHCATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F18O3Si4/c1-39(6-5-13(21,22)23,37-41(3,14(24,25)26)15(27,28)29)36-40(2,9-7-10(18)12(20)11(19)8-9)38-42(4,16(30,31)32)17(33,34)35/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane?
methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane has a molecular weight of 724.64 g/mol, XLogP of 8.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 174151886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).