2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate

C9H18O3SSi — CID 173483105

IUPAC2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate
SMILESO=C(CS)OCC[SiH2]C1CCCCO1
InChIInChI=1S/C9H18O3SSi/c10-8(7-13)11-5-6-14-9-3-1-2-4-12-9/h9,13H,1-7,14H2
InChIKeyWDLWZCSKBLDGAL-UHFFFAOYSA-N
MW234.39 g/mol
LogP0.57
Rot. Bonds5

About 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate

2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate (PubChem CID 173483105) has the molecular formula C9H18O3SSi and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate.

Molecular Properties

Compound Name2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate
PubChem CID173483105
Molecular FormulaC9H18O3SSi
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate
SMILESO=C(CS)OCC[SiH2]C1CCCCO1
InChIInChI=1S/C9H18O3SSi/c10-8(7-13)11-5-6-14-9-3-1-2-4-12-9/h9,13H,1-7,14H2
InChIKeyWDLWZCSKBLDGAL-UHFFFAOYSA-N
XLogP0.57
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutylethyl 2-sulfanylacetate
CID 106208012
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
3,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl-(oxan-2-yl)silane
CID 173269064
cyclopropylmethyl(oxan-2-yl)silane
CID 123294411
oxan-2-ylsilylformic acid
CID 123628710
cyclooctylmethyl(oxan-2-yl)silane
CID 123628291
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-methylbut-3-en-2-yloxymethyl(oxan-2-yl)silane
CID 173448914
5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid
CID 175881612
3-(oxan-2-ylsilyloxy)propanal
CID 173402060
propyl 4-(oxan-2-yl)butanoate
CID 142409064
4-hydroxybutyl 4-(oxolan-2-yloxy)butanoate
CID 169311793

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate?
The IUPAC name of 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate (CID 173483105) is 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate.
What is the SMILES notation for 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate?
The canonical SMILES for 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate is O=C(CS)OCC[SiH2]C1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate?
The InChIKey is WDLWZCSKBLDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3SSi/c10-8(7-13)11-5-6-14-9-3-1-2-4-12-9/h9,13H,1-7,14H2.
What are the key properties of 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate?
2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate has a molecular weight of 234.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate is sourced from PubChem (CID 173483105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).