dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate

C13H18O5Si — CID 71658314

IUPACdimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1c(O)ccc([Si](C)(C)C)c1C(=O)OC
InChIInChI=1S/C13H18O5Si/c1-17-12(15)10-8(14)6-7-9(19(3,4)5)11(10)13(16)18-2/h6-7,14H,1-5H3
InChIKeyJWGXRXGJQANJGZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.51
Rot. Bonds3

About dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate

dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate (PubChem CID 71658314) has the molecular formula C13H18O5Si and a molecular weight of 282.37 g/mol. Its IUPAC name is dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate
PubChem CID71658314
Molecular FormulaC13H18O5Si
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Namedimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1c(O)ccc([Si](C)(C)C)c1C(=O)OC
InChIInChI=1S/C13H18O5Si/c1-17-12(15)10-8(14)6-7-9(19(3,4)5)11(10)13(16)18-2/h6-7,14H,1-5H3
InChIKeyJWGXRXGJQANJGZ-UHFFFAOYSA-N
XLogP1.51
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
CID 24938477
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 6-bromo-3-hydroxy-2-methylbenzoate
CID 77058981
methyl 2-fluorooxy-6-hydroxybenzoate
CID 163376786
methyl 6-fluoro-3-hydroxy-2-methylbenzoate
CID 131370787
bis(2-methoxyethyl) 3,6-dihydroxybenzene-1,2-dicarboxylate
CID 15500945
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
methyl 2-cyano-3-ethyl-6-hydroxybenzoate
CID 131598909
methyl 6-amino-2-fluoro-3-hydroxybenzoate
CID 84769545
1-O-methyl 2-O-propan-2-yl 3-hydroxy-6-(2-hydroxy-5-methylbenzoyl)benzene-1,2-dicarboxylate
CID 56648942

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate (CID 71658314) is dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate is COC(=O)c1c(O)ccc([Si](C)(C)C)c1C(=O)OC.
What is the InChIKey of dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate?
The InChIKey is JWGXRXGJQANJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5Si/c1-17-12(15)10-8(14)6-7-9(19(3,4)5)11(10)13(16)18-2/h6-7,14H,1-5H3.
What are the key properties of dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate?
dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate has a molecular weight of 282.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate is sourced from PubChem (CID 71658314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).