3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol

C8H20O2SSi — CID 123810249

IUPAC3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol
SMILESCC(C)COC[SiH](O)CCCS
InChIInChI=1S/C8H20O2SSi/c1-8(2)6-10-7-12(9)5-3-4-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyCGEOSDQAXMOHQJ-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.23
Rot. Bonds7

About 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol

3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol (PubChem CID 123810249) has the molecular formula C8H20O2SSi and a molecular weight of 208.40 g/mol. Its IUPAC name is 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol
PubChem CID123810249
Molecular FormulaC8H20O2SSi
Molecular Weight208.40 g/mol
Exact Mass208.10
IUPAC Name3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol
SMILESCC(C)COC[SiH](O)CCCS
InChIInChI=1S/C8H20O2SSi/c1-8(2)6-10-7-12(9)5-3-4-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyCGEOSDQAXMOHQJ-UHFFFAOYSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol?
The IUPAC name of 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol (CID 123810249) is 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol is CC(C)COC[SiH](O)CCCS.
What is the InChIKey of 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol?
The InChIKey is CGEOSDQAXMOHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2SSi/c1-8(2)6-10-7-12(9)5-3-4-11/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol?
3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol has a molecular weight of 208.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(2-methylpropoxymethyl)silyl]propane-1-thiol is sourced from PubChem (CID 123810249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).