1-[silyloxy(3-sulfanylpropyl)silyl]ethanone

C5H14O2SSi2 — CID 173023505

IUPAC1-[silyloxy(3-sulfanylpropyl)silyl]ethanone
SMILESCC(=O)[SiH](CCCS)O[SiH3]
InChIInChI=1S/C5H14O2SSi2/c1-5(6)10(7-9)4-2-3-8/h8,10H,2-4H2,1,9H3
InChIKeyHOYMQCCGHRRTGT-UHFFFAOYSA-N
MW194.40 g/mol
LogP-0.54
Rot. Bonds5

About 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone

1-[silyloxy(3-sulfanylpropyl)silyl]ethanone (PubChem CID 173023505) has the molecular formula C5H14O2SSi2 and a molecular weight of 194.40 g/mol. Its IUPAC name is 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone.

Molecular Properties

Compound Name1-[silyloxy(3-sulfanylpropyl)silyl]ethanone
PubChem CID173023505
Molecular FormulaC5H14O2SSi2
Molecular Weight194.40 g/mol
Exact Mass194.03
IUPAC Name1-[silyloxy(3-sulfanylpropyl)silyl]ethanone
SMILESCC(=O)[SiH](CCCS)O[SiH3]
InChIInChI=1S/C5H14O2SSi2/c1-5(6)10(7-9)4-2-3-8/h8,10H,2-4H2,1,9H3
InChIKeyHOYMQCCGHRRTGT-UHFFFAOYSA-N
XLogP-0.54
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.40
LogP ≤ 5-0.54
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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Related Compounds

2-(3-sulfanylpropoxy)ethyl acetate
CID 171581130
8-sulfanyloctyl acetate
CID 19068319
11-sulfanylundecyl acetate
CID 101045220
acetic acid;2-methoxyethanethiol
CID 162333628
3-[methyl(sulfanyl)silyl]propane-1-thiol
CID 150871818
4-[methyl(silyloxy)silyl]butanoic acid
CID 173390691
acetic acid;3-methoxypropan-1-ol
CID 71363248
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
3-sulfanylpropyl 2-methylprop-2-enoate
CID 10034892
2-(3-sulfanylpropoxy)ethyl 2-methylprop-2-enoate
CID 89112339
decane-1-thiol acetate
CID 22212628
3-[[dimethyl(silyloxy)silyl]silyloxy-methylsilyl]propane-1-thiol
CID 173293784

Frequently Asked Questions

What is the IUPAC name of 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone?
The IUPAC name of 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone (CID 173023505) is 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone.
What is the SMILES notation for 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone?
The canonical SMILES for 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone is CC(=O)[SiH](CCCS)O[SiH3].
What is the InChIKey of 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone?
The InChIKey is HOYMQCCGHRRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2SSi2/c1-5(6)10(7-9)4-2-3-8/h8,10H,2-4H2,1,9H3.
What are the key properties of 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone?
1-[silyloxy(3-sulfanylpropyl)silyl]ethanone has a molecular weight of 194.40 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[silyloxy(3-sulfanylpropyl)silyl]ethanone is sourced from PubChem (CID 173023505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).