tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane

C19H29F3O2SSi — CID 140784012

IUPACtert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1(Sc2ccccc2C(F)(F)F)CCCCO1
InChIInChI=1S/C19H29F3O2SSi/c1-17(2,3)26(4,5)24-14-18(12-8-9-13-23-18)25-16-11-7-6-10-15(16)19(20,21)22/h6-7,10-11H,8-9,12-14H2,1-5H3
InChIKeyHAXNGEMYLDZHQD-UHFFFAOYSA-N
MW406.59 g/mol
LogP6.72
Rot. Bonds5

About tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane (PubChem CID 140784012) has the molecular formula C19H29F3O2SSi and a molecular weight of 406.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
PubChem CID140784012
Molecular FormulaC19H29F3O2SSi
Molecular Weight406.59 g/mol
Exact Mass406.16
IUPAC Nametert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1(Sc2ccccc2C(F)(F)F)CCCCO1
InChIInChI=1S/C19H29F3O2SSi/c1-17(2,3)26(4,5)24-14-18(12-8-9-13-23-18)25-16-11-7-6-10-15(16)19(20,21)22/h6-7,10-11H,8-9,12-14H2,1-5H3
InChIKeyHAXNGEMYLDZHQD-UHFFFAOYSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl-dimethyl-[4-methyl-4-(3-trifluoromethyl-benzenesulfonyl)-tetrahydro-pyran-2-ylmethoxy]-silane
CID 131744000
tert-Butyl-dimethyl-[4-(3-trifluoromethyl-benzenesulfonyl)-tetrahydro-pyran-2-ylmethoxy]-silane
CID 131744001
Tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
CID 140694044
Tert-butyl-dimethyl-[[4-methyl-4-(2,4,5-trifluoro-3-methylphenyl)sulfonyloxan-2-yl]methoxy]silane
CID 175328154
tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
CID 11318037
Tert-butyl-dimethyl-[[4-(3-methylphenyl)sulfanyloxan-2-yl]methoxy]silane
CID 157973134

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane (CID 140784012) is tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OCC1(Sc2ccccc2C(F)(F)F)CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
The InChIKey is HAXNGEMYLDZHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O2SSi/c1-17(2,3)26(4,5)24-14-18(12-8-9-13-23-18)25-16-11-7-6-10-15(16)19(20,21)22/h6-7,10-11H,8-9,12-14H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane has a molecular weight of 406.59 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2-[2-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane is sourced from PubChem (CID 140784012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).