tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane

C21H34OSSi — CID 102157404

IUPACtert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane
SMILESC=CC/C=C(/CCCCO[Si](C)(C)C(C)(C)C)Sc1ccccc1
InChIInChI=1S/C21H34OSSi/c1-7-8-14-19(23-20-15-10-9-11-16-20)17-12-13-18-22-24(5,6)21(2,3)4/h7,9-11,14-16H,1,8,12-13,17-18H2,2-6H3/b19-14-
InChIKeyDWDBRWJKEALPLO-RGEXLXHISA-N
MW362.66 g/mol
LogP7.43
Rot. Bonds10

About tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane

tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane (PubChem CID 102157404) has the molecular formula C21H34OSSi and a molecular weight of 362.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane
PubChem CID102157404
Molecular FormulaC21H34OSSi
Molecular Weight362.66 g/mol
Exact Mass362.21
IUPAC Nametert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane
SMILESC=CC/C=C(/CCCCO[Si](C)(C)C(C)(C)C)Sc1ccccc1
InChIInChI=1S/C21H34OSSi/c1-7-8-14-19(23-20-15-10-9-11-16-20)17-12-13-18-22-24(5,6)21(2,3)4/h7,9-11,14-16H,1,8,12-13,17-18H2,2-6H3/b19-14-
InChIKeyDWDBRWJKEALPLO-RGEXLXHISA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 57.43
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': '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
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
Trimethyl(5-phenylsulfanylnonan-5-yl)silane
CID 13164715
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
Silane, trimethyl[[1-(phenylthio)ethenyl]oxy]-
CID 11447442
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
Trimethylsilyloxymethyl phenyl sulfide
CID 12572068
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
Trimethoxy(3-phenylsulfanylpropyl)silane
CID 21413534
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane (CID 102157404) is tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane is C=CC/C=C(/CCCCO[Si](C)(C)C(C)(C)C)Sc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane?
The InChIKey is DWDBRWJKEALPLO-RGEXLXHISA-N. The full InChI is InChI=1S/C21H34OSSi/c1-7-8-14-19(23-20-15-10-9-11-16-20)17-12-13-18-22-24(5,6)21(2,3)4/h7,9-11,14-16H,1,8,12-13,17-18H2,2-6H3/b19-14-.
What are the key properties of tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane?
tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane has a molecular weight of 362.66 g/mol, XLogP of 7.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane is sourced from PubChem (CID 102157404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).