tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane

C16H26OSSi — CID 10637592

IUPACtert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/Sc1ccccc1
InChIInChI=1S/C16H26OSSi/c1-16(2,3)19(4,5)17-13-9-10-14-18-15-11-7-6-8-12-15/h6-8,10-12,14H,9,13H2,1-5H3/b14-10+
InChIKeyRRCWVVLUIKNHOZ-GXDHUFHOSA-N
MW294.54 g/mol
LogP5.70
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane

tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane (PubChem CID 10637592) has the molecular formula C16H26OSSi and a molecular weight of 294.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
PubChem CID10637592
Molecular FormulaC16H26OSSi
Molecular Weight294.54 g/mol
Exact Mass294.15
IUPAC Nametert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/Sc1ccccc1
InChIInChI=1S/C16H26OSSi/c1-16(2,3)19(4,5)17-13-9-10-14-18-15-11-7-6-8-12-15/h6-8,10-12,14H,9,13H2,1-5H3/b14-10+
InChIKeyRRCWVVLUIKNHOZ-GXDHUFHOSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.54
LogP ≤ 55.70
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'}

Analyze tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
Trimethyl-(2-methyl-1-phenylsulfanylpropyl)silane
CID 12362694
Trimethyl(1-phenylsulfanylhexyl)silane
CID 12430854
Trimethyl[1-(phenylsulfanyl)propyl]silane
CID 12572040
Trimethyl(1-phenylsulfanylpentyl)silane
CID 12572042

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane (CID 10637592) is tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane is CC(C)(C)[Si](C)(C)OCC/C=C/Sc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane?
The InChIKey is RRCWVVLUIKNHOZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H26OSSi/c1-16(2,3)19(4,5)17-13-9-10-14-18-15-11-7-6-8-12-15/h6-8,10-12,14H,9,13H2,1-5H3/b14-10+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane has a molecular weight of 294.54 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane is sourced from PubChem (CID 10637592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).