tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane

C15H25ClOSSi — CID 141310434

IUPACtert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCSc1ccccc1Cl
InChIInChI=1S/C15H25ClOSSi/c1-15(2,3)19(4,5)17-11-8-12-18-14-10-7-6-9-13(14)16/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeySUMIPPZCOQXRAK-UHFFFAOYSA-N
MW316.97 g/mol
LogP5.84
Rot. Bonds6

About tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane

tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane (PubChem CID 141310434) has the molecular formula C15H25ClOSSi and a molecular weight of 316.97 g/mol. Its IUPAC name is tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
PubChem CID141310434
Molecular FormulaC15H25ClOSSi
Molecular Weight316.97 g/mol
Exact Mass316.11
IUPAC Nametert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCSc1ccccc1Cl
InChIInChI=1S/C15H25ClOSSi/c1-15(2,3)19(4,5)17-11-8-12-18-14-10-7-6-9-13(14)16/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeySUMIPPZCOQXRAK-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.97
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide
CID 162028338
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane
CID 134977248
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64805546
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
2-trimethylsilylethyl (2Z)-2-[[2-[5-[tert-butyl(dimethyl)silyl]oxypentylsulfanyl]phenyl]methylidene]-3-oxobutanoate
CID 10414415
tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
CID 102153241
5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64622059
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane (CID 141310434) is tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCSc1ccccc1Cl.
What is the InChIKey of tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane?
The InChIKey is SUMIPPZCOQXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClOSSi/c1-15(2,3)19(4,5)17-11-8-12-18-14-10-7-6-9-13(14)16/h6-7,9-10H,8,11-12H2,1-5H3.
What are the key properties of tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane?
tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane has a molecular weight of 316.97 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane is sourced from PubChem (CID 141310434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).