4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid

C15H22O4Si — CID 172794276

IUPAC4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid
SMILESCC[Si](CC)(CC)c1c(C(=O)O)ccc(C)c1C(=O)O
InChIInChI=1S/C15H22O4Si/c1-5-20(6-2,7-3)13-11(14(16)17)9-8-10(4)12(13)15(18)19/h8-9H,5-7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPZGWCNLTWDMGGT-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.11
Rot. Bonds6

About 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid

4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid (PubChem CID 172794276) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid
PubChem CID172794276
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid
SMILESCC[Si](CC)(CC)c1c(C(=O)O)ccc(C)c1C(=O)O
InChIInChI=1S/C15H22O4Si/c1-5-20(6-2,7-3)13-11(14(16)17)9-8-10(4)12(13)15(18)19/h8-9H,5-7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPZGWCNLTWDMGGT-UHFFFAOYSA-N
XLogP3.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-methylbenzene-1,3-dicarboxylic acid
CID 150018271
2-ethoxycarbonyl-4-methylbenzene-1,3-dicarboxylic acid
CID 157327254
cyclohexane;2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 67877311
2-heptyl-4-methylbenzene-1,3-dicarboxylic acid
CID 151074604
3-hydroxy-4-methylphthalic acid
CID 139814560
3-heptadecyl-4-methylphthalic acid
CID 69470656
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
3-(2-bromoacetyl)-2,6-dimethylbenzoic acid
CID 151623703
3-ethyl-2,4-dimethylbenzoic acid
CID 70082464
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
2-fluoro-4-methylbenzene-1,3-dicarboxylic acid;formamide
CID 174895281
4-methyl-2-(4-phenylphenyl)benzene-1,3-dicarboxylic acid
CID 150641904

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid (CID 172794276) is 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid is CC[Si](CC)(CC)c1c(C(=O)O)ccc(C)c1C(=O)O.
What is the InChIKey of 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid?
The InChIKey is PZGWCNLTWDMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si/c1-5-20(6-2,7-3)13-11(14(16)17)9-8-10(4)12(13)15(18)19/h8-9H,5-7H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid?
4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid has a molecular weight of 294.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-triethylsilylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 172794276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).