1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol

C8H20O4SSi — CID 174760272

IUPAC1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol
SMILESCOC(O)(CCCS)C([SiH3])(OC)OC
InChIInChI=1S/C8H20O4SSi/c1-10-7(9,5-4-6-13)8(14,11-2)12-3/h9,13H,4-6H2,1-3,14H3
InChIKeyNKGQXAPNLXCSSS-UHFFFAOYSA-N
MW240.40 g/mol
LogP-0.66
Rot. Bonds7

About 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol

1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol (PubChem CID 174760272) has the molecular formula C8H20O4SSi and a molecular weight of 240.40 g/mol. Its IUPAC name is 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol.

Molecular Properties

Compound Name1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol
PubChem CID174760272
Molecular FormulaC8H20O4SSi
Molecular Weight240.40 g/mol
Exact Mass240.09
IUPAC Name1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol
SMILESCOC(O)(CCCS)C([SiH3])(OC)OC
InChIInChI=1S/C8H20O4SSi/c1-10-7(9,5-4-6-13)8(14,11-2)12-3/h9,13H,4-6H2,1-3,14H3
InChIKeyNKGQXAPNLXCSSS-UHFFFAOYSA-N
XLogP-0.66
TPSA47.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate
CID 175195246
1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol
CID 175163670
1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol
CID 154212707
1,1,2-trimethoxy-1-silylpropane-2-thiol
CID 173183567
2-(hydroxymethyl)-2-[4-methyl-1,7-bis(sulfanyl)heptan-4-yl]propane-1,3-diol
CID 90122482
3,3-diethoxy-6-sulfanylhexan-1-ol
CID 91147658
5,5,5-trimethoxy-4-silyloxypentane-1-thiol
CID 173313502
5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol
CID 157162585
4-methyl-4-[3-methyl-3-(3-sulfanylpropoxy)butoxy]pentane-1-thiol
CID 87919803
N-[1,7-bis(sulfanyl)-4-(3-sulfanylpropyl)heptan-4-yl]-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 89042887
1,1-dimethoxypropan-1-ol;methane
CID 157160152
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol?
The IUPAC name of 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol (CID 174760272) is 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol.
What is the SMILES notation for 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol?
The canonical SMILES for 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol is COC(O)(CCCS)C([SiH3])(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol?
The InChIKey is NKGQXAPNLXCSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4SSi/c1-10-7(9,5-4-6-13)8(14,11-2)12-3/h9,13H,4-6H2,1-3,14H3.
What are the key properties of 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol?
1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol has a molecular weight of 240.40 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol is sourced from PubChem (CID 174760272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).