1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane

C12H30O4S3Si2 — CID 154453209

IUPAC1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
SMILESCCC(CSSSCC(CC)[SiH](OC)OC)[SiH](OC)OC
InChIInChI=1S/C12H30O4S3Si2/c1-7-11(20(13-3)14-4)9-17-19-18-10-12(8-2)21(15-5)16-6/h11-12,20-21H,7-10H2,1-6H3
InChIKeyASZRKZHREYGNIX-UHFFFAOYSA-N
MW390.74 g/mol
LogP3.60
Rot. Bonds14

About 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane

1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane (PubChem CID 154453209) has the molecular formula C12H30O4S3Si2 and a molecular weight of 390.74 g/mol. Its IUPAC name is 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane.

Molecular Properties

Compound Name1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
PubChem CID154453209
Molecular FormulaC12H30O4S3Si2
Molecular Weight390.74 g/mol
Exact Mass390.08
IUPAC Name1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
SMILESCCC(CSSSCC(CC)[SiH](OC)OC)[SiH](OC)OC
InChIInChI=1S/C12H30O4S3Si2/c1-7-11(20(13-3)14-4)9-17-19-18-10-12(8-2)21(15-5)16-6/h11-12,20-21H,7-10H2,1-6H3
InChIKeyASZRKZHREYGNIX-UHFFFAOYSA-N
XLogP3.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(3-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
CID 154083059
butan-2-yl(dimethoxy)silane;propane
CID 173302238
6-dimethoxysilyloctyl(ethyl)carbamic acid
CID 173191108
1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane
CID 154233230
1-dimethoxysilylpropyl-bis(trimethylsilyl)phosphane
CID 173465127
N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine
CID 173031942
3-dimethoxysilylhexane-2,4-diamine
CID 173089396
dimethyl(pentan-3-yl)silane
CID 154432737
3-methylpentane;trimethoxysilane
CID 175171853
3-(3-dimethoxysilylpropyltrisulfanyl)propyl-dimethoxysilane
CID 150262793
3,3-dimethylpentan-2-yl(dimethoxy)silane
CID 173004269
dimethoxy(tridecan-2-yl)silane
CID 174991319

Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane?
The IUPAC name of 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane (CID 154453209) is 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane.
What is the SMILES notation for 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane?
The canonical SMILES for 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane is CCC(CSSSCC(CC)[SiH](OC)OC)[SiH](OC)OC.
What is the InChIKey of 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane?
The InChIKey is ASZRKZHREYGNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O4S3Si2/c1-7-11(20(13-3)14-4)9-17-19-18-10-12(8-2)21(15-5)16-6/h11-12,20-21H,7-10H2,1-6H3.
What are the key properties of 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane?
1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane has a molecular weight of 390.74 g/mol, XLogP of 3.60, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane is sourced from PubChem (CID 154453209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).