tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane

C16H28OSSi — CID 12061429

IUPACtert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
SMILESCc1ccc(SCC(C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28OSSi/c1-13-8-10-15(11-9-13)18-12-14(2)17-19(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3
InChIKeyKUHNHMYLCQSYRO-UHFFFAOYSA-N
MW296.55 g/mol
LogP5.50
Rot. Bonds5

About tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane

tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane (PubChem CID 12061429) has the molecular formula C16H28OSSi and a molecular weight of 296.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
PubChem CID12061429
Molecular FormulaC16H28OSSi
Molecular Weight296.55 g/mol
Exact Mass296.16
IUPAC Nametert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
SMILESCc1ccc(SCC(C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28OSSi/c1-13-8-10-15(11-9-13)18-12-14(2)17-19(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3
InChIKeyKUHNHMYLCQSYRO-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.55
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxypropyl 4-methylbenzenesulfonate
CID 76824489
tert-butyl-[deuterio-(4-methylphenyl)sulfanyl-phenylmethoxy]-dimethylsilane
CID 10617531
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)sulfanylacetate
CID 134937106
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 11674267
(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
[(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhexyl] 4-methylbenzenesulfonate
CID 134842478
1-(2-chloro-2-methoxyethyl)sulfanyl-4-methylbenzene
CID 11106800
1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene
CID 146406080
(2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]heptan-2-ol
CID 11728725
S-(4-methylphenyl) (2R,3S)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanethioate
CID 10716473
3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl 4-methylbenzenesulfonate
CID 141319014
tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-propylsulfanylethoxy]silane
CID 134929229

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane (CID 12061429) is tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane is Cc1ccc(SCC(C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane?
The InChIKey is KUHNHMYLCQSYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSSi/c1-13-8-10-15(11-9-13)18-12-14(2)17-19(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane?
tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane has a molecular weight of 296.55 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane is sourced from PubChem (CID 12061429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).