trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane

C30H66O6S2Si2 — CID 87873145

IUPACtrimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
SMILESCO[Si](CCCCCCCCCCCCSSCCCCCCCCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C30H66O6S2Si2/c1-31-39(32-2,33-3)29-25-21-17-13-9-7-11-15-19-23-27-37-38-28-24-20-16-12-8-10-14-18-22-26-30-40(34-4,35-5)36-6/h7-30H2,1-6H3
InChIKeyXBFRFOJRCIWLOJ-UHFFFAOYSA-N
MW643.16 g/mol
LogP9.93
Rot. Bonds33

About trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane

trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane (PubChem CID 87873145) has the molecular formula C30H66O6S2Si2 and a molecular weight of 643.16 g/mol. Its IUPAC name is trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane.

Molecular Properties

Compound Nametrimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
PubChem CID87873145
Molecular FormulaC30H66O6S2Si2
Molecular Weight643.16 g/mol
Exact Mass642.38
IUPAC Nametrimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
SMILESCO[Si](CCCCCCCCCCCCSSCCCCCCCCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C30H66O6S2Si2/c1-31-39(32-2,33-3)29-25-21-17-13-9-7-11-15-19-23-27-37-38-28-24-20-16-12-8-10-14-18-22-26-30-40(34-4,35-5)36-6/h7-30H2,1-6H3
InChIKeyXBFRFOJRCIWLOJ-UHFFFAOYSA-N
XLogP9.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.16
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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(6-trimethoxysilylhexyl)silane
CID 158013726
3-(butyldisulfanyl)propyl-trimethoxysilane
CID 14765024
trimethoxy-[2-(2-trimethoxysilylethyldisulfanyl)ethyl]silane
CID 23263588
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
25-bromopentacosyl(trimethoxy)silane
CID 87680868

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane?
The IUPAC name of trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane (CID 87873145) is trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane.
What is the SMILES notation for trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane?
The canonical SMILES for trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane is CO[Si](CCCCCCCCCCCCSSCCCCCCCCCCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane?
The InChIKey is XBFRFOJRCIWLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66O6S2Si2/c1-31-39(32-2,33-3)29-25-21-17-13-9-7-11-15-19-23-27-37-38-28-24-20-16-12-8-10-14-18-22-26-30-40(34-4,35-5)36-6/h7-30H2,1-6H3.
What are the key properties of trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane?
trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane has a molecular weight of 643.16 g/mol, XLogP of 9.93, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane is sourced from PubChem (CID 87873145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).