S-ethyl (3S)-3-trimethylsilyloxyundecanethioate

C16H34O2SSi — CID 14970794

IUPACS-ethyl (3S)-3-trimethylsilyloxyundecanethioate
SMILESCCCCCCCC[C@@H](CC(=O)SCC)O[Si](C)(C)C
InChIInChI=1S/C16H34O2SSi/c1-6-8-9-10-11-12-13-15(18-20(3,4)5)14-16(17)19-7-2/h15H,6-14H2,1-5H3/t15-/m0/s1
InChIKeyUVHUOIFCSRJZMD-HNNXBMFYSA-N
MW318.60 g/mol
LogP5.63
Rot. Bonds12

About S-ethyl (3S)-3-trimethylsilyloxyundecanethioate

S-ethyl (3S)-3-trimethylsilyloxyundecanethioate (PubChem CID 14970794) has the molecular formula C16H34O2SSi and a molecular weight of 318.60 g/mol. Its IUPAC name is S-ethyl (3S)-3-trimethylsilyloxyundecanethioate.

Molecular Properties

Compound NameS-ethyl (3S)-3-trimethylsilyloxyundecanethioate
PubChem CID14970794
Molecular FormulaC16H34O2SSi
Molecular Weight318.60 g/mol
Exact Mass318.20
IUPAC NameS-ethyl (3S)-3-trimethylsilyloxyundecanethioate
SMILESCCCCCCCC[C@@H](CC(=O)SCC)O[Si](C)(C)C
InChIInChI=1S/C16H34O2SSi/c1-6-8-9-10-11-12-13-15(18-20(3,4)5)14-16(17)19-7-2/h15H,6-14H2,1-5H3/t15-/m0/s1
InChIKeyUVHUOIFCSRJZMD-HNNXBMFYSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.60
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-tert-butyl (3S)-8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanethioate
CID 10861389
S-tert-butyl (3S)-3-trimethylsilyloxyundecanethioate
CID 14970793
S-[2,3-bis(trimethylsilyloxy)propyl] dodecanethioate
CID 11102138
S-[2,3-bis(trimethylsilyloxy)propyl] octanethioate
CID 53779474
S-[4-[diethoxy(propyl)silyl]oxypentyl] octanethioate
CID 158190587
CID 171486081
CID 171486081
CID 171486087
CID 171486087
CID 171486094
CID 171486094
CID 171486096
CID 171486096
CID 171486097
CID 171486097
CID 171486103
CID 171486103
CID 171486106
CID 171486106

Frequently Asked Questions

What is the IUPAC name of S-ethyl (3S)-3-trimethylsilyloxyundecanethioate?
The IUPAC name of S-ethyl (3S)-3-trimethylsilyloxyundecanethioate (CID 14970794) is S-ethyl (3S)-3-trimethylsilyloxyundecanethioate.
What is the SMILES notation for S-ethyl (3S)-3-trimethylsilyloxyundecanethioate?
The canonical SMILES for S-ethyl (3S)-3-trimethylsilyloxyundecanethioate is CCCCCCCC[C@@H](CC(=O)SCC)O[Si](C)(C)C.
What is the InChIKey of S-ethyl (3S)-3-trimethylsilyloxyundecanethioate?
The InChIKey is UVHUOIFCSRJZMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H34O2SSi/c1-6-8-9-10-11-12-13-15(18-20(3,4)5)14-16(17)19-7-2/h15H,6-14H2,1-5H3/t15-/m0/s1.
What are the key properties of S-ethyl (3S)-3-trimethylsilyloxyundecanethioate?
S-ethyl (3S)-3-trimethylsilyloxyundecanethioate has a molecular weight of 318.60 g/mol, XLogP of 5.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl (3S)-3-trimethylsilyloxyundecanethioate is sourced from PubChem (CID 14970794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).