1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol

C6H16O3SSi — CID 123832327

IUPAC1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol
SMILESCO[SiH](CCCS)C(O)CO
InChIInChI=1S/C6H16O3SSi/c1-9-11(4-2-3-10)6(8)5-7/h6-8,10-11H,2-5H2,1H3
InChIKeyBUISZEWGABNAAB-UHFFFAOYSA-N
MW196.34 g/mol
LogP-0.43
Rot. Bonds6

About 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol

1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol (PubChem CID 123832327) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol
PubChem CID123832327
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol
SMILESCO[SiH](CCCS)C(O)CO
InChIInChI=1S/C6H16O3SSi/c1-9-11(4-2-3-10)6(8)5-7/h6-8,10-11H,2-5H2,1H3
InChIKeyBUISZEWGABNAAB-UHFFFAOYSA-N
XLogP-0.43
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
CID 175127070
3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol
CID 154305569
2,10-bis(hydroxymethyl)-6-(2-sulfanylethyl)undecane-1,11-diol
CID 134417180
3-[methyl(sulfanyl)silyl]propane-1-thiol
CID 150871818
3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol
CID 123810249
ethanol;11-sulfanylundecan-1-ol
CID 175180301
9-sulfanylnonan-1-ol
CID 46201499
methoxymethane;propane-1,2-diol
CID 23435252
35-sulfanylpentatriacontan-1-ol
CID 87682399
25-sulfanylpentacosan-1-ol
CID 87683418
2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
CID 104556960
1-[silyloxy(3-sulfanylpropyl)silyl]ethanone
CID 173023505

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol?
The IUPAC name of 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol (CID 123832327) is 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol.
What is the SMILES notation for 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol?
The canonical SMILES for 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol is CO[SiH](CCCS)C(O)CO.
What is the InChIKey of 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol?
The InChIKey is BUISZEWGABNAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi/c1-9-11(4-2-3-10)6(8)5-7/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol?
1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol has a molecular weight of 196.34 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol is sourced from PubChem (CID 123832327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).