[cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane

C13H20OSSi — CID 10354881

IUPAC[cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane
SMILESCSC(O[Si](C)(C)c1ccccc1)C1CC1
InChIInChI=1S/C13H20OSSi/c1-15-13(11-9-10-11)14-16(2,3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyMYZQBPMSHQCWEO-UHFFFAOYSA-N
MW252.46 g/mol
LogP3.21
Rot. Bonds5

About [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane

[cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane (PubChem CID 10354881) has the molecular formula C13H20OSSi and a molecular weight of 252.46 g/mol. Its IUPAC name is [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane
PubChem CID10354881
Molecular FormulaC13H20OSSi
Molecular Weight252.46 g/mol
Exact Mass252.10
IUPAC Name[cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane
SMILESCSC(O[Si](C)(C)c1ccccc1)C1CC1
InChIInChI=1S/C13H20OSSi/c1-15-13(11-9-10-11)14-16(2,3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyMYZQBPMSHQCWEO-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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'}

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
tert-Butyl(dimethyl)[(phenylsulfanyl)methoxy]silane
CID 13352514
tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
CID 10637592
Trimethyl(1-phenylsulfanylbutoxy)silane
CID 12572060
Trimethyl(1-phenylsulfanylpentoxy)silane
CID 12572062
Trimethyl-(2-methyl-1-phenylsulfanylpropoxy)silane
CID 12664828
(1-Benzylsulfanyl-2-methylpropoxy)-trimethylsilane
CID 12664829
1-Benzylsulfanylbutoxy(trimethyl)silane
CID 12664830
tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191432
tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191434
[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
CID 15191436

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane?
The IUPAC name of [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane (CID 10354881) is [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane.
What is the SMILES notation for [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane?
The canonical SMILES for [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane is CSC(O[Si](C)(C)c1ccccc1)C1CC1.
What is the InChIKey of [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane?
The InChIKey is MYZQBPMSHQCWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSSi/c1-15-13(11-9-10-11)14-16(2,3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3.
What are the key properties of [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane?
[cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane has a molecular weight of 252.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane is sourced from PubChem (CID 10354881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).