dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate

C13H18O4Si — CID 24938477

IUPACdimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cccc([Si](C)(C)C)c1C(=O)OC
InChIInChI=1S/C13H18O4Si/c1-16-12(14)9-7-6-8-10(18(3,4)5)11(9)13(15)17-2/h6-8H,1-5H3
InChIKeyBJZDMCIKSGJEBM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.80
Rot. Bonds3

About dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate

dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate (PubChem CID 24938477) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
PubChem CID24938477
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Namedimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cccc([Si](C)(C)C)c1C(=O)OC
InChIInChI=1S/C13H18O4Si/c1-16-12(14)9-7-6-8-10(18(3,4)5)11(9)13(15)17-2/h6-8H,1-5H3
InChIKeyBJZDMCIKSGJEBM-UHFFFAOYSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.80
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

dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate
CID 71658314
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride
CID 175550804
dimethyl 3-(oxiran-2-ylmethyl)benzene-1,2-dicarboxylate
CID 87081717
dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
CID 14902064
dimethyl 3-(acetamidomethyl)benzene-1,2-dicarboxylate
CID 21040132
trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
chloro 2-trimethylsilylbenzoate
CID 174392762

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate (CID 24938477) is dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate is COC(=O)c1cccc([Si](C)(C)C)c1C(=O)OC.
What is the InChIKey of dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
The InChIKey is BJZDMCIKSGJEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-16-12(14)9-7-6-8-10(18(3,4)5)11(9)13(15)17-2/h6-8H,1-5H3.
What are the key properties of dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate has a molecular weight of 266.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate is sourced from PubChem (CID 24938477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).