trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane

C13H20OSSi — CID 134879233

IUPACtrimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane
SMILESC/C(=C/CSc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H20OSSi/c1-12(14-16(2,3)4)10-11-15-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3/b12-10-
InChIKeyHZBKHBAIJNXATD-BENRWUELSA-N
MW252.46 g/mol
LogP4.53
Rot. Bonds5

About trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane

trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane (PubChem CID 134879233) has the molecular formula C13H20OSSi and a molecular weight of 252.46 g/mol. Its IUPAC name is trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane
PubChem CID134879233
Molecular FormulaC13H20OSSi
Molecular Weight252.46 g/mol
Exact Mass252.10
IUPAC Nametrimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane
SMILESC/C(=C/CSc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H20OSSi/c1-12(14-16(2,3)4)10-11-15-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3/b12-10-
InChIKeyHZBKHBAIJNXATD-BENRWUELSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane 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((phenylthio)methyl)-
CID 140295
3-Phenylthiopropan-2-one
CID 247129
Benzene, (pentylthio)-
CID 573677
(Hexylsulfanyl)benzene
CID 10012875
Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932
4-(Phenylsulfanyl)butan-2-one
CID 239872
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
2-Butanone, 3-(phenylthio)-
CID 586310
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
Silane, trimethyl[1-(phenylthio)ethenyl]-
CID 11138323
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane
CID 361793

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane (CID 134879233) is trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane is C/C(=C/CSc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane?
The InChIKey is HZBKHBAIJNXATD-BENRWUELSA-N. The full InChI is InChI=1S/C13H20OSSi/c1-12(14-16(2,3)4)10-11-15-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3/b12-10-.
What are the key properties of trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane?
trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane has a molecular weight of 252.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxysilane is sourced from PubChem (CID 134879233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).