[6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane

C16H38O4S3Si2 — CID 154139197

IUPAC[6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane
SMILESCOC(OC)C([SiH3])CCCCSSSCCCCC([SiH3])C(OC)OC
InChIInChI=1S/C16H38O4S3Si2/c1-17-15(18-2)13(24)9-5-7-11-21-23-22-12-8-6-10-14(25)16(19-3)20-4/h13-16H,5-12H2,1-4,24-25H3
InChIKeyGIJLCCLARGQYNY-UHFFFAOYSA-N
MW446.85 g/mol
LogP2.90
Rot. Bonds18

About [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane

[6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane (PubChem CID 154139197) has the molecular formula C16H38O4S3Si2 and a molecular weight of 446.85 g/mol. Its IUPAC name is [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane.

Molecular Properties

Compound Name[6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane
PubChem CID154139197
Molecular FormulaC16H38O4S3Si2
Molecular Weight446.85 g/mol
Exact Mass446.15
IUPAC Name[6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane
SMILESCOC(OC)C([SiH3])CCCCSSSCCCCC([SiH3])C(OC)OC
InChIInChI=1S/C16H38O4S3Si2/c1-17-15(18-2)13(24)9-5-7-11-21-23-22-12-8-6-10-14(25)16(19-3)20-4/h13-16H,5-12H2,1-4,24-25H3
InChIKeyGIJLCCLARGQYNY-UHFFFAOYSA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.85
LogP ≤ 52.90
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(5,5-dimethoxy-4-silylpentyl)-5,5-dimethoxy-N-methyl-4-silylpentan-1-amine
CID 175802360
[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 159624155
4-(3-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
CID 154083059
1-(hexyltrisulfanyl)octadecane
CID 140815608
3-(3-dimethoxysilylpropyltrisulfanyl)propyl-dimethoxysilane
CID 150262793
1-(butyltrisulfanyl)octane
CID 141156696
4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane
CID 123596896
[6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane
CID 154171830
1,1,1-trimethoxy-12-(12,12,12-trimethoxydodecyltetrasulfanyl)dodecane
CID 151026166
trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane
CID 146607253
1-(octadecylhexasulfanyl)octadecane
CID 54412885
1-(dodecylhexasulfanyl)dodecane
CID 139607418

Frequently Asked Questions

What is the IUPAC name of [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane?
The IUPAC name of [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane (CID 154139197) is [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane.
What is the SMILES notation for [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane?
The canonical SMILES for [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane is COC(OC)C([SiH3])CCCCSSSCCCCC([SiH3])C(OC)OC.
What is the InChIKey of [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane?
The InChIKey is GIJLCCLARGQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O4S3Si2/c1-17-15(18-2)13(24)9-5-7-11-21-23-22-12-8-6-10-14(25)16(19-3)20-4/h13-16H,5-12H2,1-4,24-25H3.
What are the key properties of [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane?
[6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane has a molecular weight of 446.85 g/mol, XLogP of 2.90, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane is sourced from PubChem (CID 154139197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).