6-[dimethoxy(methyl)silyl]hexane-1-thiol

C18H44O4S2Si2 — CID 158410124

IUPAC6-[dimethoxy(methyl)silyl]hexane-1-thiol
SMILESCO[Si](C)(CCCCCCS)OC.CO[Si](C)(CCCCCCS)OC
InChIInChI=1S/2C9H22O2SSi/c2*1-10-13(3,11-2)9-7-5-4-6-8-12/h2*12H,4-9H2,1-3H3
InChIKeyGZEYHAZTSWBKEE-UHFFFAOYSA-N
MW444.85 g/mol
LogP5.68
Rot. Bonds16

About 6-[dimethoxy(methyl)silyl]hexane-1-thiol

6-[dimethoxy(methyl)silyl]hexane-1-thiol (PubChem CID 158410124) has the molecular formula C18H44O4S2Si2 and a molecular weight of 444.85 g/mol. Its IUPAC name is 6-[dimethoxy(methyl)silyl]hexane-1-thiol.

Molecular Properties

Compound Name6-[dimethoxy(methyl)silyl]hexane-1-thiol
PubChem CID158410124
Molecular FormulaC18H44O4S2Si2
Molecular Weight444.85 g/mol
Exact Mass444.22
IUPAC Name6-[dimethoxy(methyl)silyl]hexane-1-thiol
SMILESCO[Si](C)(CCCCCCS)OC.CO[Si](C)(CCCCCCS)OC
InChIInChI=1S/2C9H22O2SSi/c2*1-10-13(3,11-2)9-7-5-4-6-8-12/h2*12H,4-9H2,1-3H3
InChIKeyGZEYHAZTSWBKEE-UHFFFAOYSA-N
XLogP5.68
TPSA36.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.85
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-[dimethoxy(methyl)silyl]heptane-1-thiol
CID 151105350
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984
tetrakis[4-[dimethoxy(methyl)silyl]butyl]silane
CID 87832670
3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
CID 88614402
dimethoxy-methyl-octadec-17-enylsilane
CID 87930703
38-[dichloro(methyl)silyl]octatriacontane-1-thiol
CID 87684171
9-[dichloro(methyl)silyl]nonane-1-thiol
CID 87681480
27-[chloro(dimethyl)silyl]heptacosane-1-thiol
CID 87683227
3-[dimethoxy(methyl)silyl]propylphosphane
CID 141336188
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
CID 87683373
dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane
CID 174467708

Frequently Asked Questions

What is the IUPAC name of 6-[dimethoxy(methyl)silyl]hexane-1-thiol?
The IUPAC name of 6-[dimethoxy(methyl)silyl]hexane-1-thiol (CID 158410124) is 6-[dimethoxy(methyl)silyl]hexane-1-thiol.
What is the SMILES notation for 6-[dimethoxy(methyl)silyl]hexane-1-thiol?
The canonical SMILES for 6-[dimethoxy(methyl)silyl]hexane-1-thiol is CO[Si](C)(CCCCCCS)OC.CO[Si](C)(CCCCCCS)OC.
What is the InChIKey of 6-[dimethoxy(methyl)silyl]hexane-1-thiol?
The InChIKey is GZEYHAZTSWBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H22O2SSi/c2*1-10-13(3,11-2)9-7-5-4-6-8-12/h2*12H,4-9H2,1-3H3.
What are the key properties of 6-[dimethoxy(methyl)silyl]hexane-1-thiol?
6-[dimethoxy(methyl)silyl]hexane-1-thiol has a molecular weight of 444.85 g/mol, XLogP of 5.68, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethoxy(methyl)silyl]hexane-1-thiol is sourced from PubChem (CID 158410124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).