diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

C15H26O5Si — CID 134980433

IUPACdiethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1CC=C(O[Si](C)(C)C)C[C@@H]1C(=O)OCC
InChIInChI=1S/C15H26O5Si/c1-6-18-14(16)12-9-8-11(20-21(3,4)5)10-13(12)15(17)19-7-2/h8,12-13H,6-7,9-10H2,1-5H3/t12-,13-/m0/s1
InChIKeyNHTSAUKZSUIBRC-STQMWFEESA-N
MW314.45 g/mol
LogP2.87
Rot. Bonds6

About diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (PubChem CID 134980433) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
PubChem CID134980433
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Namediethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1CC=C(O[Si](C)(C)C)C[C@@H]1C(=O)OCC
InChIInChI=1S/C15H26O5Si/c1-6-18-14(16)12-9-8-11(20-21(3,4)5)10-13(12)15(17)19-7-2/h8,12-13H,6-7,9-10H2,1-5H3/t12-,13-/m0/s1
InChIKeyNHTSAUKZSUIBRC-STQMWFEESA-N
XLogP2.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-((trimethylsilyl)oxy)cyclohex-3-ene-1-carboxylate
CID 15101119
(3aR,7aS)-5-((tert-butyldimethylsilyl)oxy)-3a,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
CID 137321628
(3aR,7aR)-5-((tert-butyldimethylsilyl)oxy)-3a,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
CID 137321637
(3aS,7aR)-5-((tert-butyldimethylsilyl)oxy)-3a,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
CID 137321649
ethyl (1R,5R,6R)-6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
CID 68271751
Ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
CID 77447520
Ethyl 1-(fluoromethyl)-4-((trimethylsilyl)oxy)cyclohex-3-enecarboxylate
CID 123326572
Butyl 1-(fluoromethyl)-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 173604192
dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 12031285
Methyl 2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 12726653
methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
CID 54672210
2-O-tert-butyl 1-O-methyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134903380

Frequently Asked Questions

What is the IUPAC name of diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (CID 134980433) is diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is CCOC(=O)[C@H]1CC=C(O[Si](C)(C)C)C[C@@H]1C(=O)OCC.
What is the InChIKey of diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is NHTSAUKZSUIBRC-STQMWFEESA-N. The full InChI is InChI=1S/C15H26O5Si/c1-6-18-14(16)12-9-8-11(20-21(3,4)5)10-13(12)15(17)19-7-2/h8,12-13H,6-7,9-10H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 314.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 134980433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).