trimethylsilyl 2,3-dimethylbenzoate

C12H18O2Si — CID 91714654

IUPACtrimethylsilyl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)O[Si](C)(C)C)c1C
InChIInChI=1S/C12H18O2Si/c1-9-7-6-8-11(10(9)2)12(13)14-15(3,4)5/h6-8H,1-5H3
InChIKeyAATIRGOOSXTGFF-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.30
Rot. Bonds2

About trimethylsilyl 2,3-dimethylbenzoate

trimethylsilyl 2,3-dimethylbenzoate (PubChem CID 91714654) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is trimethylsilyl 2,3-dimethylbenzoate.

Molecular Properties

Compound Nametrimethylsilyl 2,3-dimethylbenzoate
PubChem CID91714654
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Nametrimethylsilyl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)O[Si](C)(C)C)c1C
InChIInChI=1S/C12H18O2Si/c1-9-7-6-8-11(10(9)2)12(13)14-15(3,4)5/h6-8H,1-5H3
InChIKeyAATIRGOOSXTGFF-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethylsilyl 2,3-dimethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethylsilyl 2-methylbenzoate
CID 577266
fluoro 2,3-dimethylbenzoate
CID 174427719
aminomethyl 2,3-dimethylbenzoate
CID 66871801
trimethylsilyl 2-trimethylsilylperoxybenzoate
CID 87186801
furan-2-yl 2,3-dimethylbenzoate
CID 175196099
2,3-dimethylbenzoyl iodide
CID 87941796
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
2,3-dimethylbenzamide;ethane
CID 143389789
3-oxopropyl 2,3-dimethylbenzoate
CID 174643723
(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
CID 87155428
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate
CID 71876372

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,3-dimethylbenzoate?
The IUPAC name of trimethylsilyl 2,3-dimethylbenzoate (CID 91714654) is trimethylsilyl 2,3-dimethylbenzoate.
What is the SMILES notation for trimethylsilyl 2,3-dimethylbenzoate?
The canonical SMILES for trimethylsilyl 2,3-dimethylbenzoate is Cc1cccc(C(=O)O[Si](C)(C)C)c1C.
What is the InChIKey of trimethylsilyl 2,3-dimethylbenzoate?
The InChIKey is AATIRGOOSXTGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-9-7-6-8-11(10(9)2)12(13)14-15(3,4)5/h6-8H,1-5H3.
What are the key properties of trimethylsilyl 2,3-dimethylbenzoate?
trimethylsilyl 2,3-dimethylbenzoate has a molecular weight of 222.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3-dimethylbenzoate is sourced from PubChem (CID 91714654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).