butyl-silyloxy-bis(trifluoromethylsulfonyl)silane

C6H12F6O5S2Si2 — CID 173339625

IUPACbutyl-silyloxy-bis(trifluoromethylsulfonyl)silane
SMILESCCCC[Si](O[SiH3])(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F6O5S2Si2/c1-2-3-4-21(17-20,18(13,14)5(7,8)9)19(15,16)6(10,11)12/h2-4H2,1,20H3
InChIKeyGWIUEDULSHIEDT-UHFFFAOYSA-N
MW398.45 g/mol
LogP0.89
Rot. Bonds6

About butyl-silyloxy-bis(trifluoromethylsulfonyl)silane

butyl-silyloxy-bis(trifluoromethylsulfonyl)silane (PubChem CID 173339625) has the molecular formula C6H12F6O5S2Si2 and a molecular weight of 398.45 g/mol. Its IUPAC name is butyl-silyloxy-bis(trifluoromethylsulfonyl)silane.

Molecular Properties

Compound Namebutyl-silyloxy-bis(trifluoromethylsulfonyl)silane
PubChem CID173339625
Molecular FormulaC6H12F6O5S2Si2
Molecular Weight398.45 g/mol
Exact Mass397.96
IUPAC Namebutyl-silyloxy-bis(trifluoromethylsulfonyl)silane
SMILESCCCC[Si](O[SiH3])(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F6O5S2Si2/c1-2-3-4-21(17-20,18(13,14)5(7,8)9)19(15,16)6(10,11)12/h2-4H2,1,20H3
InChIKeyGWIUEDULSHIEDT-UHFFFAOYSA-N
XLogP0.89
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tricosane;trifluoromethanesulfonic acid
CID 161255361
tributylsilyl hydrogen sulfate
CID 18317151
1-[dimethyl(sulfo)silyl]butane
CID 18968523
1-(amino-methyl-silyloxysilyl)butane
CID 173414196
tributyl(trifluoromethylsulfonyloxy)phosphanium
CID 87465902
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
hydroxy-methyl-pentyl-silyloxysilane
CID 123937378
[tributyl(octyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 87573486
9-fluoropentacosan-9-ol
CID 139794548
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
1,1,2,2,2-pentafluoroethyl pentane-1-sulfonate
CID 175529337
azane;2-methylheptan-2-ol;trifluoromethanesulfonic acid
CID 174876443

Frequently Asked Questions

What is the IUPAC name of butyl-silyloxy-bis(trifluoromethylsulfonyl)silane?
The IUPAC name of butyl-silyloxy-bis(trifluoromethylsulfonyl)silane (CID 173339625) is butyl-silyloxy-bis(trifluoromethylsulfonyl)silane.
What is the SMILES notation for butyl-silyloxy-bis(trifluoromethylsulfonyl)silane?
The canonical SMILES for butyl-silyloxy-bis(trifluoromethylsulfonyl)silane is CCCC[Si](O[SiH3])(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of butyl-silyloxy-bis(trifluoromethylsulfonyl)silane?
The InChIKey is GWIUEDULSHIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F6O5S2Si2/c1-2-3-4-21(17-20,18(13,14)5(7,8)9)19(15,16)6(10,11)12/h2-4H2,1,20H3.
What are the key properties of butyl-silyloxy-bis(trifluoromethylsulfonyl)silane?
butyl-silyloxy-bis(trifluoromethylsulfonyl)silane has a molecular weight of 398.45 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-silyloxy-bis(trifluoromethylsulfonyl)silane is sourced from PubChem (CID 173339625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).