trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane

C30H66O6S7Si2 — CID 54212897

IUPACtrimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane
SMILESCCCCCCCCCCCC(SSSSSSSC(CCCCCCCCCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C30H66O6S7Si2/c1-9-11-13-15-17-19-21-23-25-27-29(44(31-3,32-4)33-5)37-39-41-43-42-40-38-30(45(34-6,35-7)36-8)28-26-24-22-20-18-16-14-12-10-2/h29-30H,9-28H2,1-8H3
InChIKeyPXEAEWJJOLQMGS-UHFFFAOYSA-N
MW803.49 g/mol
LogP13.02
Rot. Bonds36

About trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane

trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane (PubChem CID 54212897) has the molecular formula C30H66O6S7Si2 and a molecular weight of 803.49 g/mol. Its IUPAC name is trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane
PubChem CID54212897
Molecular FormulaC30H66O6S7Si2
Molecular Weight803.49 g/mol
Exact Mass802.24
IUPAC Nametrimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane
SMILESCCCCCCCCCCCC(SSSSSSSC(CCCCCCCCCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C30H66O6S7Si2/c1-9-11-13-15-17-19-21-23-25-27-29(44(31-3,32-4)33-5)37-39-41-43-42-40-38-30(45(34-6,35-7)36-8)28-26-24-22-20-18-16-14-12-10-2/h29-30H,9-28H2,1-8H3
InChIKeyPXEAEWJJOLQMGS-UHFFFAOYSA-N
XLogP13.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500803.49
LogP ≤ 513.02
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

triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
1-trimethoxysilyloctan-1-amine
CID 87463125
4-ethylnonadecan-3-yl(trimethoxy)silane
CID 88743379
3-fluorodecan-2-yl(trimethoxy)silane
CID 87402948
3-trimethoxysilyltetradecan-1-amine
CID 22997270
trimethoxy(1-trimethoxysilyloctan-2-yl)silane
CID 154069020
8-trimethoxysilylhenicosan-11-amine;hydrochloride
CID 173245957
(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane
CID 162505004
8-heptadecan-8-ylsulfanylheptadecane
CID 54218677
N-(1-trimethoxysilylpropyl)hexan-1-amine
CID 87290664
1,1-dimethoxytetradecane
CID 13265409
2-(octan-2-yldisulfanyl)octane
CID 5120252

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane?
The IUPAC name of trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane (CID 54212897) is trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane.
What is the SMILES notation for trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane?
The canonical SMILES for trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane is CCCCCCCCCCCC(SSSSSSSC(CCCCCCCCCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane?
The InChIKey is PXEAEWJJOLQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66O6S7Si2/c1-9-11-13-15-17-19-21-23-25-27-29(44(31-3,32-4)33-5)37-39-41-43-42-40-38-30(45(34-6,35-7)36-8)28-26-24-22-20-18-16-14-12-10-2/h29-30H,9-28H2,1-8H3.
What are the key properties of trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane?
trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane has a molecular weight of 803.49 g/mol, XLogP of 13.02, 36 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(1-trimethoxysilyldodecylheptasulfanyl)dodecyl]silane is sourced from PubChem (CID 54212897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).