triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane

C24H42OSSi2 — CID 135020842

IUPACtriethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane
SMILESC=CCC(/C=C(\Sc1ccccc1)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C24H42OSSi2/c1-8-18-22(25-28(12-5,13-6)14-7)21-24(27(9-2,10-3)11-4)26-23-19-16-15-17-20-23/h8,15-17,19-22H,1,9-14,18H2,2-7H3/b24-21+
InChIKeyZKKKDHRPPRNRLM-DARPEHSRSA-N
MW434.84 g/mol
LogP8.68
Rot. Bonds14

About triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane

triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane (PubChem CID 135020842) has the molecular formula C24H42OSSi2 and a molecular weight of 434.84 g/mol. Its IUPAC name is triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane
PubChem CID135020842
Molecular FormulaC24H42OSSi2
Molecular Weight434.84 g/mol
Exact Mass434.25
IUPAC Nametriethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane
SMILESC=CCC(/C=C(\Sc1ccccc1)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C24H42OSSi2/c1-8-18-22(25-28(12-5,13-6)14-7)21-24(27(9-2,10-3)11-4)26-23-19-16-15-17-20-23/h8,15-17,19-22H,1,9-14,18H2,2-7H3/b24-21+
InChIKeyZKKKDHRPPRNRLM-DARPEHSRSA-N
XLogP8.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.84
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Silane, trimethyl[[1-(phenylthio)ethenyl]oxy]-
CID 11447442
Trimethylsilyloxymethyl phenyl sulfide
CID 12572068
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
tert-Butyl(dimethyl)[(phenylsulfanyl)methoxy]silane
CID 13352514
tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
CID 10637592
[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane
CID 10946332
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
CID 10990080
trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
CID 11068172
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenylsulfanyldodec-5-en-7-yn-3-yl]oxy-dimethylsilane
CID 11091298

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane?
The IUPAC name of triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane (CID 135020842) is triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane?
The canonical SMILES for triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane is C=CCC(/C=C(\Sc1ccccc1)[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane?
The InChIKey is ZKKKDHRPPRNRLM-DARPEHSRSA-N. The full InChI is InChI=1S/C24H42OSSi2/c1-8-18-22(25-28(12-5,13-6)14-7)21-24(27(9-2,10-3)11-4)26-23-19-16-15-17-20-23/h8,15-17,19-22H,1,9-14,18H2,2-7H3/b24-21+.
What are the key properties of triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane?
triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane has a molecular weight of 434.84 g/mol, XLogP of 8.68, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1Z)-1-phenylsulfanyl-1-triethylsilylhexa-1,5-dien-3-yl]oxysilane is sourced from PubChem (CID 135020842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).