tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane

C21H34OSSi — CID 134977248

IUPACtert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CCCCSc1ccccc1
InChIInChI=1S/C21H34OSSi/c1-21(2,3)24(4,5)22-18-14-9-7-6-8-10-15-19-23-20-16-12-11-13-17-20/h11-13,16-17H,7,9-10,14-15,18-19H2,1-5H3
InChIKeyNTWOBSFLPXYEFV-UHFFFAOYSA-N
MW362.66 g/mol
LogP6.75
Rot. Bonds9

About tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane

tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane (PubChem CID 134977248) has the molecular formula C21H34OSSi and a molecular weight of 362.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane
PubChem CID134977248
Molecular FormulaC21H34OSSi
Molecular Weight362.66 g/mol
Exact Mass362.21
IUPAC Nametert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CCCCSc1ccccc1
InChIInChI=1S/C21H34OSSi/c1-21(2,3)24(4,5)22-18-14-9-7-6-8-10-15-19-23-20-16-12-11-13-17-20/h11-13,16-17H,7,9-10,14-15,18-19H2,1-5H3
InChIKeyNTWOBSFLPXYEFV-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 56.75
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
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tert-butyl-diphenyl-tetradec-8-ynoxysilane
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tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
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tris[4-[tert-butyl(dimethyl)silyl]oxybutyl]-(2-phenylethynyl)boranuide
CID 135048483
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
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CID 23696339

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane (CID 134977248) is tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane is CC(C)(C)[Si](C)(C)OCCCCC#CCCCSc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane?
The InChIKey is NTWOBSFLPXYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34OSSi/c1-21(2,3)24(4,5)22-18-14-9-7-6-8-10-15-19-23-20-16-12-11-13-17-20/h11-13,16-17H,7,9-10,14-15,18-19H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane?
tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane has a molecular weight of 362.66 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane is sourced from PubChem (CID 134977248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).