trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane

C12H20OSSi — CID 553319

IUPACtrimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane
SMILESC[Si](C)(C)CCOCSc1ccccc1
InChIInChI=1S/C12H20OSSi/c1-15(2,3)10-9-13-11-14-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyHOLFBAUUDJPYPK-UHFFFAOYSA-N
MW240.44 g/mol
LogP4.09
Rot. Bonds6

About trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane

trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane (PubChem CID 553319) has the molecular formula C12H20OSSi and a molecular weight of 240.44 g/mol. Its IUPAC name is trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane
PubChem CID553319
Molecular FormulaC12H20OSSi
Molecular Weight240.44 g/mol
Exact Mass240.10
IUPAC Nametrimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane
SMILESC[Si](C)(C)CCOCSc1ccccc1
InChIInChI=1S/C12H20OSSi/c1-15(2,3)10-9-13-11-14-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyHOLFBAUUDJPYPK-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.09
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl((phenylthio)methyl)-
CID 140295
1-(Trimethylsilyl)cyclopropyl phenyl sulfide
CID 552870
((Methoxymethyl)thio)benzene
CID 542598
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
Silane, trimethyl[1-(phenylthio)ethenyl]-
CID 11138323
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
1,2-Bis(2-methoxyethylthio) benzene
CID 57502461
Methyl-(4-methylsulfanylphenyl)silane
CID 174083888

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane?
The IUPAC name of trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane (CID 553319) is trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane.
What is the SMILES notation for trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane?
The canonical SMILES for trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane is C[Si](C)(C)CCOCSc1ccccc1.
What is the InChIKey of trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane?
The InChIKey is HOLFBAUUDJPYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSSi/c1-15(2,3)10-9-13-11-14-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane?
trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane has a molecular weight of 240.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(phenylsulfanylmethoxy)ethyl]silane is sourced from PubChem (CID 553319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).