trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane

C14H22OSSi — CID 13497299

IUPACtrimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane
SMILESC[Si](C)(C)CCO/C=C/CSc1ccccc1
InChIInChI=1S/C14H22OSSi/c1-17(2,3)13-11-15-10-7-12-16-14-8-5-4-6-9-14/h4-10H,11-13H2,1-3H3/b10-7+
InChIKeyPQNTUGANNYSXJA-JXMROGBWSA-N
MW266.48 g/mol
LogP4.65
Rot. Bonds7

About trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane

trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane (PubChem CID 13497299) has the molecular formula C14H22OSSi and a molecular weight of 266.48 g/mol. Its IUPAC name is trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane
PubChem CID13497299
Molecular FormulaC14H22OSSi
Molecular Weight266.48 g/mol
Exact Mass266.12
IUPAC Nametrimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane
SMILESC[Si](C)(C)CCO/C=C/CSc1ccccc1
InChIInChI=1S/C14H22OSSi/c1-17(2,3)13-11-15-10-7-12-16-14-8-5-4-6-9-14/h4-10H,11-13H2,1-3H3/b10-7+
InChIKeyPQNTUGANNYSXJA-JXMROGBWSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]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
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
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
1,2-Bis(2-methoxyethylthio) benzene
CID 57502461
[(E)-4-ethoxy-5,5,5-trifluoro-3-phenylsulfanylpent-3-en-1-ynyl]-trimethylsilane
CID 10783669
3-(4-Fluorophenyl)sulfanylpropyl-trimethylsilane
CID 162407287
1-Butoxy-2-phenylmercaptoethane
CID 271491
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Trimethyl(3-phenylsulfanylprop-1-ynyl)silane
CID 11694249

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane (CID 13497299) is trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane is C[Si](C)(C)CCO/C=C/CSc1ccccc1.
What is the InChIKey of trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane?
The InChIKey is PQNTUGANNYSXJA-JXMROGBWSA-N. The full InChI is InChI=1S/C14H22OSSi/c1-17(2,3)13-11-15-10-7-12-16-14-8-5-4-6-9-14/h4-10H,11-13H2,1-3H3/b10-7+.
What are the key properties of trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane?
trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane has a molecular weight of 266.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(E)-3-phenylsulfanylprop-1-enoxy]ethyl]silane is sourced from PubChem (CID 13497299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).