trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane

C13H22OSSi — CID 12664828

IUPACtrimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane
SMILESCC(C)C(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-11(2)13(14-16(3,4)5)15-12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyVPHYLWROUNZCGY-UHFFFAOYSA-N
MW254.47 g/mol
LogP4.61
Rot. Bonds5

About trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane

trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane (PubChem CID 12664828) has the molecular formula C13H22OSSi and a molecular weight of 254.47 g/mol. Its IUPAC name is trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane.

Molecular Properties

Compound Nametrimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane
PubChem CID12664828
Molecular FormulaC13H22OSSi
Molecular Weight254.47 g/mol
Exact Mass254.12
IUPAC Nametrimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane
SMILESCC(C)C(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-11(2)13(14-16(3,4)5)15-12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyVPHYLWROUNZCGY-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze trimethyl-(2-methyl-1-phenylsulfanylpropoxy)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((phenylthio)methyl)-
CID 140295
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
2-Methyl-3-phenylthiopropanol
CID 12573588
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
1-Butoxy-2-phenylmercaptoethane
CID 271491
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
Trimethyl(3-phenylsulfanylprop-1-ynyl)silane
CID 11694249
Trimethyl-(2-methyl-1-phenylsulfanylpropyl)silane
CID 12362694

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane?
The IUPAC name of trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane (CID 12664828) is trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane.
What is the SMILES notation for trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane?
The canonical SMILES for trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane is CC(C)C(O[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane?
The InChIKey is VPHYLWROUNZCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSSi/c1-11(2)13(14-16(3,4)5)15-12-9-7-6-8-10-12/h6-11,13H,1-5H3.
What are the key properties of trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane?
trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane has a molecular weight of 254.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane is sourced from PubChem (CID 12664828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).