[diethoxy(methyl)silyl] 5-sulfanylpentanoate

C10H22O4SSi — CID 90805416

IUPAC[diethoxy(methyl)silyl] 5-sulfanylpentanoate
SMILESCCO[Si](C)(OCC)OC(=O)CCCCS
InChIInChI=1S/C10H22O4SSi/c1-4-12-16(3,13-5-2)14-10(11)8-6-7-9-15/h15H,4-9H2,1-3H3
InChIKeySYYKNVUOIATTLT-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds9

About [diethoxy(methyl)silyl] 5-sulfanylpentanoate

[diethoxy(methyl)silyl] 5-sulfanylpentanoate (PubChem CID 90805416) has the molecular formula C10H22O4SSi and a molecular weight of 266.43 g/mol. Its IUPAC name is [diethoxy(methyl)silyl] 5-sulfanylpentanoate.

Molecular Properties

Compound Name[diethoxy(methyl)silyl] 5-sulfanylpentanoate
PubChem CID90805416
Molecular FormulaC10H22O4SSi
Molecular Weight266.43 g/mol
Exact Mass266.10
IUPAC Name[diethoxy(methyl)silyl] 5-sulfanylpentanoate
SMILESCCO[Si](C)(OCC)OC(=O)CCCCS
InChIInChI=1S/C10H22O4SSi/c1-4-12-16(3,13-5-2)14-10(11)8-6-7-9-15/h15H,4-9H2,1-3H3
InChIKeySYYKNVUOIATTLT-UHFFFAOYSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate
CID 87595671
[diethoxy(methyl)silyl] 3,3-bis(sulfanyl)pentanoate
CID 87594957
6-ethoxyhexyl 7-sulfanylheptanoate
CID 54496855
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
trimethylsilyl icosanoate
CID 521648
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[diethoxy(methyl)silyl] 2,2-bis(sulfanyl)butanoate
CID 87594075
methanethioic S-acid;(methyl-nonyl-octadecanoyloxysilyl) octadecanoate
CID 175034063
29-triethoxysilylnonacosane-1-thiol
CID 87683851
3-[ethoxy(dimethyl)silyl]propane-1-thiol;silane
CID 159201084
20-triethoxysilylicosane-1-thiol
CID 87684173
hexadecyl 11-sulfanylundecanoate
CID 155738867

Frequently Asked Questions

What is the IUPAC name of [diethoxy(methyl)silyl] 5-sulfanylpentanoate?
The IUPAC name of [diethoxy(methyl)silyl] 5-sulfanylpentanoate (CID 90805416) is [diethoxy(methyl)silyl] 5-sulfanylpentanoate.
What is the SMILES notation for [diethoxy(methyl)silyl] 5-sulfanylpentanoate?
The canonical SMILES for [diethoxy(methyl)silyl] 5-sulfanylpentanoate is CCO[Si](C)(OCC)OC(=O)CCCCS.
What is the InChIKey of [diethoxy(methyl)silyl] 5-sulfanylpentanoate?
The InChIKey is SYYKNVUOIATTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4SSi/c1-4-12-16(3,13-5-2)14-10(11)8-6-7-9-15/h15H,4-9H2,1-3H3.
What are the key properties of [diethoxy(methyl)silyl] 5-sulfanylpentanoate?
[diethoxy(methyl)silyl] 5-sulfanylpentanoate has a molecular weight of 266.43 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(methyl)silyl] 5-sulfanylpentanoate is sourced from PubChem (CID 90805416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).