1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane

C12H30O4S2Si2 — CID 154233230

IUPAC1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane
SMILESCCCC(SSC(CCC)[SiH](OC)OC)[SiH](OC)OC
InChIInChI=1S/C12H30O4S2Si2/c1-7-9-11(19(13-3)14-4)17-18-12(10-8-2)20(15-5)16-6/h11-12,19-20H,7-10H2,1-6H3
InChIKeyNXQVQUSBOCRCQU-UHFFFAOYSA-N
MW358.67 g/mol
LogP2.81
Rot. Bonds13

About 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane

1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane (PubChem CID 154233230) has the molecular formula C12H30O4S2Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane.

Molecular Properties

Compound Name1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane
PubChem CID154233230
Molecular FormulaC12H30O4S2Si2
Molecular Weight358.67 g/mol
Exact Mass358.11
IUPAC Name1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane
SMILESCCCC(SSC(CCC)[SiH](OC)OC)[SiH](OC)OC
InChIInChI=1S/C12H30O4S2Si2/c1-7-9-11(19(13-3)14-4)17-18-12(10-8-2)20(15-5)16-6/h11-12,19-20H,7-10H2,1-6H3
InChIKeyNXQVQUSBOCRCQU-UHFFFAOYSA-N
XLogP2.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethoxy(tridecan-2-yl)silane
CID 174991319
dimethoxy(oct-1-en-3-yl)silane
CID 174156079
N'-(1-dimethoxysilylbutyl)butane-1,4-diamine
CID 173372191
3-hexan-3-yloxyhexane;trimethoxysilane
CID 175116578
(1-chloro-3-methylbutyl)-dimethoxysilane
CID 123501518
dimethoxy-[1-(4-methylcyclohexyl)pentyl]silane
CID 175051237
butan-2-yl(dimethoxy)silane;propane
CID 173302238
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide
CID 159975973
3-ethyl-3-methoxy-4-propylheptane
CID 144783113
2,4-dimethyl-6-propylnonane
CID 57492214
N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine
CID 173031942

Frequently Asked Questions

What is the IUPAC name of 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane?
The IUPAC name of 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane (CID 154233230) is 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane.
What is the SMILES notation for 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane?
The canonical SMILES for 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane is CCCC(SSC(CCC)[SiH](OC)OC)[SiH](OC)OC.
What is the InChIKey of 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane?
The InChIKey is NXQVQUSBOCRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O4S2Si2/c1-7-9-11(19(13-3)14-4)17-18-12(10-8-2)20(15-5)16-6/h11-12,19-20H,7-10H2,1-6H3.
What are the key properties of 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane?
1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane has a molecular weight of 358.67 g/mol, XLogP of 2.81, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane is sourced from PubChem (CID 154233230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).