tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane

C12H32O3SSi2 — CID 159104117

IUPACtert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane
SMILESCOOC.CO[SiH2]CCCS[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H26OSSi2.C2H6O2/c1-10(2,3)14(5,6)12-8-7-9-13-11-4;1-3-4-2/h7-9,13H2,1-6H3;1-2H3
InChIKeyKDQTYGFMIDNMEQ-UHFFFAOYSA-N
MW312.62 g/mol
LogP3.46
Rot. Bonds7

About tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane

tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane (PubChem CID 159104117) has the molecular formula C12H32O3SSi2 and a molecular weight of 312.62 g/mol. Its IUPAC name is tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane.

Molecular Properties

Compound Nametert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane
PubChem CID159104117
Molecular FormulaC12H32O3SSi2
Molecular Weight312.62 g/mol
Exact Mass312.16
IUPAC Nametert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane
SMILESCOOC.CO[SiH2]CCCS[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H26OSSi2.C2H6O2/c1-10(2,3)14(5,6)12-8-7-9-13-11-4;1-3-4-2/h7-9,13H2,1-6H3;1-2H3
InChIKeyKDQTYGFMIDNMEQ-UHFFFAOYSA-N
XLogP3.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol
CID 167567175
tert-butyl-[[dimethoxy(methyl)silyl]methylsulfanyl]-dimethylsilane
CID 175914791
methoxy(2-methoxysilylethyl)silane
CID 71401369
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
CID 91719359
3-methoxysilyl-N-propylpropan-1-amine
CID 123623979
methoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
CID 173377892
2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine
CID 154406553
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane
CID 91696527
2-(6-methoxysilylhexoxy)-N-[2-(6-methoxysilylhexoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine
CID 154406577
methoxy-[3-[2-(oxiran-2-ylmethoxy)ethoxy]propyl]silane
CID 151041352
3-methoxysilylpropane-1,1,1-trithiol
CID 123262087
methoxy(3,3,3-trifluoropropyl)silane
CID 123372538

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane?
The IUPAC name of tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane (CID 159104117) is tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane.
What is the SMILES notation for tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane?
The canonical SMILES for tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane is COOC.CO[SiH2]CCCS[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane?
The InChIKey is KDQTYGFMIDNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26OSSi2.C2H6O2/c1-10(2,3)14(5,6)12-8-7-9-13-11-4;1-3-4-2/h7-9,13H2,1-6H3;1-2H3.
What are the key properties of tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane?
tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane has a molecular weight of 312.62 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane is sourced from PubChem (CID 159104117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).