triethoxysilyl 3-sulfanylpentanoate

C11H24O5SSi — CID 91476176

IUPACtriethoxysilyl 3-sulfanylpentanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CC(S)CC
InChIInChI=1S/C11H24O5SSi/c1-5-10(17)9-11(12)16-18(13-6-2,14-7-3)15-8-4/h10,17H,5-9H2,1-4H3
InChIKeyQUHRHMPCMATGSL-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.17
Rot. Bonds10

About triethoxysilyl 3-sulfanylpentanoate

triethoxysilyl 3-sulfanylpentanoate (PubChem CID 91476176) has the molecular formula C11H24O5SSi and a molecular weight of 296.46 g/mol. Its IUPAC name is triethoxysilyl 3-sulfanylpentanoate.

Molecular Properties

Compound Nametriethoxysilyl 3-sulfanylpentanoate
PubChem CID91476176
Molecular FormulaC11H24O5SSi
Molecular Weight296.46 g/mol
Exact Mass296.11
IUPAC Nametriethoxysilyl 3-sulfanylpentanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CC(S)CC
InChIInChI=1S/C11H24O5SSi/c1-5-10(17)9-11(12)16-18(13-6-2,14-7-3)15-8-4/h10,17H,5-9H2,1-4H3
InChIKeyQUHRHMPCMATGSL-UHFFFAOYSA-N
XLogP2.17
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

triethoxysilyl 4-sulfanylhexanoate
CID 91185963
triethoxysilyl 4,4-bis(sulfanyl)butanoate
CID 87595305
CID 159416386
CID 159416386
triethoxysilyl 3,3-bis(sulfanyl)pentanoate
CID 87593886
[2-methyl-3-(3-sulfanylpentanoyloxy)-2-(3-sulfanylpentanoyloxymethyl)propyl] 3-sulfanylpentanoate
CID 87480149
CID 87594616
CID 87594616
dodecyl 3-sulfanylpentanoate
CID 57122382
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
triethoxysilyl 2-chloro-2,2-difluoroacetate
CID 23523584
2-triethoxysilyloxybutanedioic acid
CID 10957429
triethoxysilyl N-propylidenecarbamate
CID 174573064
3-sulfanylpentanoyl (2S)-pyrrolidine-2-carboxylate
CID 88771059

Frequently Asked Questions

What is the IUPAC name of triethoxysilyl 3-sulfanylpentanoate?
The IUPAC name of triethoxysilyl 3-sulfanylpentanoate (CID 91476176) is triethoxysilyl 3-sulfanylpentanoate.
What is the SMILES notation for triethoxysilyl 3-sulfanylpentanoate?
The canonical SMILES for triethoxysilyl 3-sulfanylpentanoate is CCO[Si](OCC)(OCC)OC(=O)CC(S)CC.
What is the InChIKey of triethoxysilyl 3-sulfanylpentanoate?
The InChIKey is QUHRHMPCMATGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5SSi/c1-5-10(17)9-11(12)16-18(13-6-2,14-7-3)15-8-4/h10,17H,5-9H2,1-4H3.
What are the key properties of triethoxysilyl 3-sulfanylpentanoate?
triethoxysilyl 3-sulfanylpentanoate has a molecular weight of 296.46 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilyl 3-sulfanylpentanoate is sourced from PubChem (CID 91476176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).