3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol

C10H28O2SSi3 — CID 14323638

IUPAC3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol
SMILESC[Si](C)(C)O[Si](C)(CCCS)O[Si](C)(C)C
InChIInChI=1S/C10H28O2SSi3/c1-14(2,3)11-16(7,10-8-9-13)12-15(4,5)6/h13H,8-10H2,1-7H3
InChIKeyHOEYUYIUODGCQE-UHFFFAOYSA-N
MW296.66 g/mol
LogP4.08
Rot. Bonds7

About 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol

3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol (PubChem CID 14323638) has the molecular formula C10H28O2SSi3 and a molecular weight of 296.66 g/mol. Its IUPAC name is 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol
PubChem CID14323638
Molecular FormulaC10H28O2SSi3
Molecular Weight296.66 g/mol
Exact Mass296.11
IUPAC Name3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol
SMILESC[Si](C)(C)O[Si](C)(CCCS)O[Si](C)(C)C
InChIInChI=1S/C10H28O2SSi3/c1-14(2,3)11-16(7,10-8-9-13)12-15(4,5)6/h13H,8-10H2,1-7H3
InChIKeyHOEYUYIUODGCQE-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.66
LogP ≤ 54.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol?
The IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol (CID 14323638) is 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol.
What is the SMILES notation for 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol?
The canonical SMILES for 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol is C[Si](C)(C)O[Si](C)(CCCS)O[Si](C)(C)C.
What is the InChIKey of 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol?
The InChIKey is HOEYUYIUODGCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H28O2SSi3/c1-14(2,3)11-16(7,10-8-9-13)12-15(4,5)6/h13H,8-10H2,1-7H3.
What are the key properties of 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol?
3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol has a molecular weight of 296.66 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-bis(trimethylsilyloxy)silyl]propane-1-thiol is sourced from PubChem (CID 14323638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).