diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate

C20H32O4Si — CID 138983020

IUPACdiethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate
SMILESCCOC(=O)c1cc([Si](CC)(CC)CC)c(C(=O)OCC)c(C)c1C
InChIInChI=1S/C20H32O4Si/c1-8-23-19(21)16-13-17(25(10-3,11-4)12-5)18(15(7)14(16)6)20(22)24-9-2/h13H,8-12H2,1-7H3
InChIKeyLFMDFCHPRSRKHH-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.37
Rot. Bonds8

About diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate

diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate (PubChem CID 138983020) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate
PubChem CID138983020
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Namediethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate
SMILESCCOC(=O)c1cc([Si](CC)(CC)CC)c(C(=O)OCC)c(C)c1C
InChIInChI=1S/C20H32O4Si/c1-8-23-19(21)16-13-17(25(10-3,11-4)12-5)18(15(7)14(16)6)20(22)24-9-2/h13H,8-12H2,1-7H3
InChIKeyLFMDFCHPRSRKHH-UHFFFAOYSA-N
XLogP4.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(6-ethoxycarbonyl-2,3-dimethylphenyl)-3,4-dimethylbenzoate
CID 12546776
ethyl 2,3,6-trimethylbenzoate
CID 13126297
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 4-amino-2,3,5,6-tetramethylbenzoate
CID 154639052
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2,4,6-trichlorobenzoate
CID 91733956
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate
CID 162343069
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
diethyl phthalazine-6,7-dicarboxylate
CID 13115748

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate?
The IUPAC name of diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate (CID 138983020) is diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate.
What is the SMILES notation for diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate?
The canonical SMILES for diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate is CCOC(=O)c1cc([Si](CC)(CC)CC)c(C(=O)OCC)c(C)c1C.
What is the InChIKey of diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate?
The InChIKey is LFMDFCHPRSRKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-8-23-19(21)16-13-17(25(10-3,11-4)12-5)18(15(7)14(16)6)20(22)24-9-2/h13H,8-12H2,1-7H3.
What are the key properties of diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate?
diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate has a molecular weight of 364.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dimethyl-5-triethylsilylbenzene-1,4-dicarboxylate is sourced from PubChem (CID 138983020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).