3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol

C12H28O2SSi — CID 139759526

IUPAC3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol
SMILESCC(C)(C)O[Si](C)(CCCS)OC(C)(C)C
InChIInChI=1S/C12H28O2SSi/c1-11(2,3)13-16(7,10-8-9-15)14-12(4,5)6/h15H,8-10H2,1-7H3
InChIKeyZNXARCBIHRRIPO-UHFFFAOYSA-N
MW264.51 g/mol
LogP4.01
Rot. Bonds5

About 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol

3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol (PubChem CID 139759526) has the molecular formula C12H28O2SSi and a molecular weight of 264.51 g/mol. Its IUPAC name is 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol
PubChem CID139759526
Molecular FormulaC12H28O2SSi
Molecular Weight264.51 g/mol
Exact Mass264.16
IUPAC Name3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol
SMILESCC(C)(C)O[Si](C)(CCCS)OC(C)(C)C
InChIInChI=1S/C12H28O2SSi/c1-11(2,3)13-16(7,10-8-9-15)14-12(4,5)6/h15H,8-10H2,1-7H3
InChIKeyZNXARCBIHRRIPO-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propan-1-amine
CID 139759530
butyl-methoxy-methyl-[(2-methylpropan-2-yl)oxy]silane
CID 139614116
methyl-bis[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139759531
7-[dimethoxy(methyl)silyl]heptane-1-thiol
CID 151105350
6-[dimethoxy(methyl)silyl]hexane-1-thiol
CID 158410124
3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol
CID 160591949
3-tris(trimethylsilyloxy)silylpropane-1-thiol
CID 18003138
methoxy-methyl-[(2-methylpropan-2-yl)oxy]-(3-prop-1-enoxypropyl)silane
CID 141299750
3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol
CID 23341375
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
CID 88614402

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol?
The IUPAC name of 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol (CID 139759526) is 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol.
What is the SMILES notation for 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol?
The canonical SMILES for 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol is CC(C)(C)O[Si](C)(CCCS)OC(C)(C)C.
What is the InChIKey of 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol?
The InChIKey is ZNXARCBIHRRIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2SSi/c1-11(2,3)13-16(7,10-8-9-15)14-12(4,5)6/h15H,8-10H2,1-7H3.
What are the key properties of 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol?
3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol has a molecular weight of 264.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol is sourced from PubChem (CID 139759526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).