2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane

C17H40O3SSi2 — CID 162392217

IUPAC2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane
SMILESCCO[Si](CC(C)(C)C)(OCC)OC(C)S[Si](CC)(CC)CC
InChIInChI=1S/C17H40O3SSi2/c1-10-18-23(19-11-2,15-17(7,8)9)20-16(6)21-22(12-3,13-4)14-5/h16H,10-15H2,1-9H3
InChIKeyIMNQNHNASKMWBO-UHFFFAOYSA-N
MW380.74 g/mol
LogP6.15
Rot. Bonds12

About 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane

2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane (PubChem CID 162392217) has the molecular formula C17H40O3SSi2 and a molecular weight of 380.74 g/mol. Its IUPAC name is 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane.

Molecular Properties

Compound Name2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane
PubChem CID162392217
Molecular FormulaC17H40O3SSi2
Molecular Weight380.74 g/mol
Exact Mass380.22
IUPAC Name2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane
SMILESCCO[Si](CC(C)(C)C)(OCC)OC(C)S[Si](CC)(CC)CC
InChIInChI=1S/C17H40O3SSi2/c1-10-18-23(19-11-2,15-17(7,8)9)20-16(6)21-22(12-3,13-4)14-5/h16H,10-15H2,1-9H3
InChIKeyIMNQNHNASKMWBO-UHFFFAOYSA-N
XLogP6.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.74
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diethoxy-ethyl-propan-2-yloxysilane
CID 18331965
2,2-dimethylpropyl-[2,2-dimethylpropyl(diethoxy)silyl]-diethoxysilane
CID 87552824
triethoxy(2,2,4-trimethylpentyl)silane
CID 21480871
1-[diethoxy(ethyl)silyl]oxyethylphosphane
CID 157287140
triethoxy(2-triethylsilylsulfanylethyl)silane
CID 162392108
diethoxy-di(propan-2-yl)silane
CID 14048564
1-[ethoxy(dimethyl)silyl]ethanethiol
CID 163407239
1,1,2,2-Tetrakis(2,2-dimethylpropyl)-1-ethoxydisilane
CID 13118874
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
1-triethoxysilylpropan-2-amine
CID 10236113
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane?
The IUPAC name of 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane (CID 162392217) is 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane.
What is the SMILES notation for 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane?
The canonical SMILES for 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane is CCO[Si](CC(C)(C)C)(OCC)OC(C)S[Si](CC)(CC)CC.
What is the InChIKey of 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane?
The InChIKey is IMNQNHNASKMWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O3SSi2/c1-10-18-23(19-11-2,15-17(7,8)9)20-16(6)21-22(12-3,13-4)14-5/h16H,10-15H2,1-9H3.
What are the key properties of 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane?
2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane has a molecular weight of 380.74 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-diethoxy-(1-triethylsilylsulfanylethoxy)silane is sourced from PubChem (CID 162392217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).