diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate

C20H30O5Si — CID 52920552

IUPACdiethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)[C@@H]([C@H](C=O)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H30O5Si/c1-6-15(14-21)18(26(4,5)16-12-10-9-11-13-16)17(19(22)24-7-2)20(23)25-8-3/h9-15,17-18H,6-8H2,1-5H3/t15-,18+/m0/s1
InChIKeyHVBCWRMIPJLNNL-MAUKXSAKSA-N
MW378.54 g/mol
LogP2.94
Rot. Bonds10

About diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate

diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate (PubChem CID 52920552) has the molecular formula C20H30O5Si and a molecular weight of 378.54 g/mol. Its IUPAC name is diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate
PubChem CID52920552
Molecular FormulaC20H30O5Si
Molecular Weight378.54 g/mol
Exact Mass378.19
IUPAC Namediethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)[C@@H]([C@H](C=O)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H30O5Si/c1-6-15(14-21)18(26(4,5)16-12-10-9-11-13-16)17(19(22)24-7-2)20(23)25-8-3/h9-15,17-18H,6-8H2,1-5H3/t15-,18+/m0/s1
InChIKeyHVBCWRMIPJLNNL-MAUKXSAKSA-N
XLogP2.94
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate
CID 102281471
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
ethyl 2-bromo-2-triphenylsilylacetate
CID 134832270
ethyl 2-chloro-3-oxopropanoate;toluene
CID 88523995
N-[1-[dimethyl(phenyl)silyl]propyl]-N-methylacetamide
CID 10857870
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-amino-2-phenylsulfanylacetate
CID 53443199
ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate
CID 10790158

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate?
The IUPAC name of diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate (CID 52920552) is diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate.
What is the SMILES notation for diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate?
The canonical SMILES for diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate is CCOC(=O)C(C(=O)OCC)[C@@H]([C@H](C=O)CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate?
The InChIKey is HVBCWRMIPJLNNL-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H30O5Si/c1-6-15(14-21)18(26(4,5)16-12-10-9-11-13-16)17(19(22)24-7-2)20(23)25-8-3/h9-15,17-18H,6-8H2,1-5H3/t15-,18+/m0/s1.
What are the key properties of diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate?
diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate has a molecular weight of 378.54 g/mol, XLogP of 2.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate is sourced from PubChem (CID 52920552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).