1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one

C15H24O2SSi — CID 138975549

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)CSc1ccccc1
InChIInChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-11-13(16)12-18-14-9-7-6-8-10-14/h6-10H,11-12H2,1-5H3
InChIKeyJCNDANSVEWCMCQ-UHFFFAOYSA-N
MW296.51 g/mol
LogP4.37
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one

1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one (PubChem CID 138975549) has the molecular formula C15H24O2SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one
PubChem CID138975549
Molecular FormulaC15H24O2SSi
Molecular Weight296.51 g/mol
Exact Mass296.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)CSc1ccccc1
InChIInChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-11-13(16)12-18-14-9-7-6-8-10-14/h6-10H,11-12H2,1-5H3
InChIKeyJCNDANSVEWCMCQ-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
1-Ethoxy-1-phenylthio-2-propanone
CID 12622843
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
Trimethoxy(3-phenylsulfanylpropyl)silane
CID 21413534
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
S-phenyl 2-trimethylsilyloxyethanethioate
CID 85713199
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Triethoxy(3-phenylsulfanylpropyl)silane
CID 151300368
Trimethylsilyl (phenylsulfanyl)acetate
CID 14352473
(2-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 151615759
(1-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 164806355

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one (CID 138975549) is 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one is CC(C)(C)[Si](C)(C)OCC(=O)CSc1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one?
The InChIKey is JCNDANSVEWCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-11-13(16)12-18-14-9-7-6-8-10-14/h6-10H,11-12H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one has a molecular weight of 296.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-2-one is sourced from PubChem (CID 138975549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).