2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal

C15H24O2SSi — CID 138975731

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CSc1ccccc1
InChIInChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3
InChIKeyXDMOPDSMBIDZJT-UHFFFAOYSA-N
MW296.51 g/mol
LogP4.37
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal

2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal (PubChem CID 138975731) has the molecular formula C15H24O2SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal
PubChem CID138975731
Molecular FormulaC15H24O2SSi
Molecular Weight296.51 g/mol
Exact Mass296.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CSc1ccccc1
InChIInChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3
InChIKeyXDMOPDSMBIDZJT-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
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
S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
CID 10333997
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
CID 10990080
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
Ethyl 3-(4-trimethylsilylphenyl)sulfanylpropanoate
CID 12024996
Trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane
CID 12664828
3-(t-Butyl-dimethylsiloxy)butyl phenyl sulfide
CID 14807388

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal (CID 138975731) is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal is CC(C)(C)[Si](C)(C)OC(C=O)CSc1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal?
The InChIKey is XDMOPDSMBIDZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal?
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal 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 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanal is sourced from PubChem (CID 138975731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).