S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate

C14H26O2SSi — CID 15414680

IUPACS-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
SMILESCC(=O)SC1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C14H26O2SSi/c1-11(15)17-13-9-7-8-12(10-13)16-18(5,6)14(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyJHDDPYJVGVSRAH-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.72
Rot. Bonds3

About S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate

S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate (PubChem CID 15414680) has the molecular formula C14H26O2SSi and a molecular weight of 286.51 g/mol. Its IUPAC name is S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate.

Molecular Properties

Compound NameS-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
PubChem CID15414680
Molecular FormulaC14H26O2SSi
Molecular Weight286.51 g/mol
Exact Mass286.14
IUPAC NameS-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
SMILESCC(=O)SC1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C14H26O2SSi/c1-11(15)17-13-9-7-8-12(10-13)16-18(5,6)14(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyJHDDPYJVGVSRAH-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
CID 10380829
S-tert-butyl (2R)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-5-methylhex-4-enethioate
CID 11258394
1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
CID 134979554
tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate
CID 10713224
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392
dimethyl (1S,2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)cyclohex-4-ene-1,2-dicarboxylate
CID 10737995
[(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane
CID 10980094
methyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3-dihydroindol-1-yl)cyclohex-3-ene-1-carboxylate
CID 100972470
N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methylideneamino]-N-methylmethanamine
CID 10801884
(3-tert-butylcyclohexen-1-yl) acetate
CID 12692083
methyl (2S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-10-oxo-9-oxatricyclo[6.2.2.02,7]dodeca-3,11-diene-1-carboxylate
CID 162415230

Frequently Asked Questions

What is the IUPAC name of S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate?
The IUPAC name of S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate (CID 15414680) is S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate.
What is the SMILES notation for S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate?
The canonical SMILES for S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate is CC(=O)SC1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate?
The InChIKey is JHDDPYJVGVSRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2SSi/c1-11(15)17-13-9-7-8-12(10-13)16-18(5,6)14(2,3)4/h10,13H,7-9H2,1-6H3.
What are the key properties of S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate?
S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate has a molecular weight of 286.51 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate is sourced from PubChem (CID 15414680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).