bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane

C30H68O6S2Si3 — CID 175914838

IUPACbis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane
SMILESCCCO[Si](CC(C)(C)CS[Si](C)(C)SCC(C)(C)C[Si](OCCC)(OCCC)OCCC)(OCCC)OCCC
InChIInChI=1S/C30H68O6S2Si3/c1-13-19-31-40(32-20-14-2,33-21-15-3)27-29(7,8)25-37-39(11,12)38-26-30(9,10)28-41(34-22-16-4,35-23-17-5)36-24-18-6/h13-28H2,1-12H3
InChIKeyOMAPWUYWKRMUSO-UHFFFAOYSA-N
MW673.26 g/mol
LogP9.64
Rot. Bonds28

About bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane

bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane (PubChem CID 175914838) has the molecular formula C30H68O6S2Si3 and a molecular weight of 673.26 g/mol. Its IUPAC name is bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane.

Molecular Properties

Compound Namebis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane
PubChem CID175914838
Molecular FormulaC30H68O6S2Si3
Molecular Weight673.26 g/mol
Exact Mass672.38
IUPAC Namebis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane
SMILESCCCO[Si](CC(C)(C)CS[Si](C)(C)SCC(C)(C)C[Si](OCCC)(OCCC)OCCC)(OCCC)OCCC
InChIInChI=1S/C30H68O6S2Si3/c1-13-19-31-40(32-20-14-2,33-21-15-3)27-29(7,8)25-37-39(11,12)38-26-30(9,10)28-41(34-22-16-4,35-23-17-5)36-24-18-6/h13-28H2,1-12H3
InChIKeyOMAPWUYWKRMUSO-UHFFFAOYSA-N
XLogP9.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.26
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2,2-dimethyl-3-[methyl(dipropoxy)silyl]propyl]sulfanyl-dimethylsilane
CID 175914800
ethylsulfanyl-dimethyl-propoxysilane;methane
CID 158922534
[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane
CID 175914839
tritert-butyl(propoxy)silane
CID 87144875
methyl-(2-methylbutan-2-yl)-dipropoxysilane
CID 153327730
tert-butyl-dimethoxy-propoxysilane
CID 139714542
methyl(tripropoxy)silane;hydrate
CID 172826593
trimethyl-[[methyl(dipropoxy)silyl]methylsulfanyl]silane
CID 162392239
diethoxy-ethyl-propoxysilane
CID 22211908
tripropoxy(3-tripropoxysilylpentan-3-yl)silane
CID 140582882
iodomethyl-methyl-dipropoxysilane
CID 23146719
ethoxy-ethyl-dipropoxysilane
CID 525754

Frequently Asked Questions

What is the IUPAC name of bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane?
The IUPAC name of bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane (CID 175914838) is bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane.
What is the SMILES notation for bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane?
The canonical SMILES for bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane is CCCO[Si](CC(C)(C)CS[Si](C)(C)SCC(C)(C)C[Si](OCCC)(OCCC)OCCC)(OCCC)OCCC.
What is the InChIKey of bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane?
The InChIKey is OMAPWUYWKRMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H68O6S2Si3/c1-13-19-31-40(32-20-14-2,33-21-15-3)27-29(7,8)25-37-39(11,12)38-26-30(9,10)28-41(34-22-16-4,35-23-17-5)36-24-18-6/h13-28H2,1-12H3.
What are the key properties of bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane?
bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane has a molecular weight of 673.26 g/mol, XLogP of 9.64, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane is sourced from PubChem (CID 175914838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).