triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane

C36H78O6S7Si2 — CID 54431230

IUPACtriethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
SMILESCCCCCCCCCCCC(SSSSSSSC(CCCCCCCCCCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C36H78O6S7Si2/c1-9-17-19-21-23-25-27-29-31-33-35(50(37-11-3,38-12-4)39-13-5)43-45-47-49-48-46-44-36(51(40-14-6,41-15-7)42-16-8)34-32-30-28-26-24-22-20-18-10-2/h35-36H,9-34H2,1-8H3
InChIKeyWHPUJDZRWFRPKT-UHFFFAOYSA-N
MW887.65 g/mol
LogP15.36
Rot. Bonds42

About triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane

triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane (PubChem CID 54431230) has the molecular formula C36H78O6S7Si2 and a molecular weight of 887.65 g/mol. Its IUPAC name is triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
PubChem CID54431230
Molecular FormulaC36H78O6S7Si2
Molecular Weight887.65 g/mol
Exact Mass886.34
IUPAC Nametriethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
SMILESCCCCCCCCCCCC(SSSSSSSC(CCCCCCCCCCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C36H78O6S7Si2/c1-9-17-19-21-23-25-27-29-31-33-35(50(37-11-3,38-12-4)39-13-5)43-45-47-49-48-46-44-36(51(40-14-6,41-15-7)42-16-8)34-32-30-28-26-24-22-20-18-10-2/h35-36H,9-34H2,1-8H3
InChIKeyWHPUJDZRWFRPKT-UHFFFAOYSA-N
XLogP15.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds42
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500887.65
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54212897
1-triethoxysilyldecan-1-amine
CID 87463354
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
2-triethoxysilyldodecanal
CID 162716787
triethoxy(2-heptylundecyl)silane
CID 139707869
9-ethoxyoctadecane
CID 87148376
1-triethoxysilylheptan-2-amine
CID 90410833
1-[diethoxy(methyl)silyl]heptan-1-amine
CID 174602385
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
CID 175408992
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
8-heptadecan-8-ylsulfanylheptadecane
CID 54218677
diethoxy-hexadecan-2-yloxy-methylsilane
CID 176915381

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane?
The IUPAC name of triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane (CID 54431230) is triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane.
What is the SMILES notation for triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane?
The canonical SMILES for triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane is CCCCCCCCCCCC(SSSSSSSC(CCCCCCCCCCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane?
The InChIKey is WHPUJDZRWFRPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78O6S7Si2/c1-9-17-19-21-23-25-27-29-31-33-35(50(37-11-3,38-12-4)39-13-5)43-45-47-49-48-46-44-36(51(40-14-6,41-15-7)42-16-8)34-32-30-28-26-24-22-20-18-10-2/h35-36H,9-34H2,1-8H3.
What are the key properties of triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane?
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane has a molecular weight of 887.65 g/mol, XLogP of 15.36, 42 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane is sourced from PubChem (CID 54431230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).