bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate

C15H24O4Si2 — CID 91741915

IUPACbis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate
SMILESCc1cc(C(=O)O[Si](C)(C)C)cc(C(=O)O[Si](C)(C)C)c1
InChIInChI=1S/C15H24O4Si2/c1-11-8-12(14(16)18-20(2,3)4)10-13(9-11)15(17)19-21(5,6)7/h8-10H,1-7H3
InChIKeyWDCYVMGBUTYIPT-UHFFFAOYSA-N
MW324.53 g/mol
LogP3.98
Rot. Bonds4

About bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate

bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate (PubChem CID 91741915) has the molecular formula C15H24O4Si2 and a molecular weight of 324.53 g/mol. Its IUPAC name is bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate
PubChem CID91741915
Molecular FormulaC15H24O4Si2
Molecular Weight324.53 g/mol
Exact Mass324.12
IUPAC Namebis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate
SMILESCc1cc(C(=O)O[Si](C)(C)C)cc(C(=O)O[Si](C)(C)C)c1
InChIInChI=1S/C15H24O4Si2/c1-11-8-12(14(16)18-20(2,3)4)10-13(9-11)15(17)19-21(5,6)7/h8-10H,1-7H3
InChIKeyWDCYVMGBUTYIPT-UHFFFAOYSA-N
XLogP3.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.53
LogP ≤ 53.98
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

Isophthalic Acid
CID 8496
Dimethyl isophthalate
CID 15088
1,3,5-Benzenetricarboxylic acid
CID 11138
3,5-Dimethylbenzoic acid
CID 10356
m-Toluate
CID 6946312
Isophthalic acid, dipropyl ester
CID 18459
Trimethyl benzene-1,3,5-tricarboxylate
CID 75881
Triethyl benzene-1,3,5-tricarboxylate
CID 226764
5-Methylisophthalic acid
CID 68137
1,3-Benzenedicarboxylic acid, sodium salt (1:2)
CID 14535627
1,3-Benzenedicarboxylate
CID 5461079
Trimethylsilyl benzoate
CID 74955

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate?
The IUPAC name of bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate (CID 91741915) is bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate.
What is the SMILES notation for bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate?
The canonical SMILES for bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate is Cc1cc(C(=O)O[Si](C)(C)C)cc(C(=O)O[Si](C)(C)C)c1.
What is the InChIKey of bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate?
The InChIKey is WDCYVMGBUTYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si2/c1-11-8-12(14(16)18-20(2,3)4)10-13(9-11)15(17)19-21(5,6)7/h8-10H,1-7H3.
What are the key properties of bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate?
bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate has a molecular weight of 324.53 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate is sourced from PubChem (CID 91741915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).