tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane

C19H32O2SSi — CID 10736750

IUPACtert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane
SMILESCc1c(C)c2c(c(C)c1O[Si](C)(C)C(C)(C)C)C(C)(C)CS2=O
InChIInChI=1S/C19H32O2SSi/c1-12-13(2)17-15(19(7,8)11-22(17)20)14(3)16(12)21-23(9,10)18(4,5)6/h11H2,1-10H3
InChIKeyXPZLFAZGOQMDCA-UHFFFAOYSA-N
MW352.62 g/mol
LogP5.39
Rot. Bonds2

About tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane

tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane (PubChem CID 10736750) has the molecular formula C19H32O2SSi and a molecular weight of 352.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane
PubChem CID10736750
Molecular FormulaC19H32O2SSi
Molecular Weight352.62 g/mol
Exact Mass352.19
IUPAC Nametert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane
SMILESCc1c(C)c2c(c(C)c1O[Si](C)(C)C(C)(C)C)C(C)(C)CS2=O
InChIInChI=1S/C19H32O2SSi/c1-12-13(2)17-15(19(7,8)11-22(17)20)14(3)16(12)21-23(9,10)18(4,5)6/h11H2,1-10H3
InChIKeyXPZLFAZGOQMDCA-UHFFFAOYSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.62
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]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

3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione
CID 59805381
tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane
CID 102070368
tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane
CID 54489705
4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde
CID 139231177
tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane
CID 156720870
(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane
CID 59132118
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
tert-butyl-(2-ethyl-6-fluorophenoxy)-dimethylsilane
CID 90310844
tert-butyl-dimethyl-[[(4S,11R)-2,2,4-trimethyl-8-tricyclo[5.3.1.04,11]undec-7-enyl]oxy]silane
CID 71492113
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
CID 126970735
methyl 3,5-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzoate
CID 177175663
tert-butyl-[(2,4-dimethyl-2,3-dihydrofuran-5-yl)oxy]-dimethylsilane
CID 10537347

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane (CID 10736750) is tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane is Cc1c(C)c2c(c(C)c1O[Si](C)(C)C(C)(C)C)C(C)(C)CS2=O.
What is the InChIKey of tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane?
The InChIKey is XPZLFAZGOQMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2SSi/c1-12-13(2)17-15(19(7,8)11-22(17)20)14(3)16(12)21-23(9,10)18(4,5)6/h11H2,1-10H3.
What are the key properties of tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane?
tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane has a molecular weight of 352.62 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3,3,4,6,7-pentamethyl-1-oxo-2H-1-benzothiophen-5-yl)oxy]silane is sourced from PubChem (CID 10736750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).