[tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate

C15H24O2Si — CID 91733937

IUPAC[tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1C
InChIInChI=1S/C15H24O2Si/c1-11-8-9-13(10-12(11)2)14(16)17-18(6,7)15(3,4)5/h8-10H,1-7H3
InChIKeyMUUQEDUNJLHIPK-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.47
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate

[tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate (PubChem CID 91733937) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate
PubChem CID91733937
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name[tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1C
InChIInChI=1S/C15H24O2Si/c1-11-8-9-13(10-12(11)2)14(16)17-18(6,7)15(3,4)5/h8-10H,1-7H3
InChIKeyMUUQEDUNJLHIPK-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethylbenzoic acid
CID 12073
2,4,6-Trimethylbenzoic acid
CID 10194
p-Octylbenzoic acid
CID 19147
4-Pentylbenzoic acid
CID 33479
4-Methylphthalic acid
CID 20310
Benzoic acid, 4-heptyl-
CID 170036
2,4,5-Trimethylbenzoic Acid
CID 10714
2,3-Dimethylbenzoic acid
CID 11782
2,3,5,6-Tetramethylbenzoic acid
CID 17452
4-Hexylbenzoic acid
CID 30725
2-Methyl-[1,1'-biphenyl]-3-carboxylic acid
CID 17850713
2,4,6-Trimethylbenzoic acid methyl ester
CID 519982

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate (CID 91733937) is [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate is Cc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate?
The InChIKey is MUUQEDUNJLHIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-11-8-9-13(10-12(11)2)14(16)17-18(6,7)15(3,4)5/h8-10H,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate?
[tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate has a molecular weight of 264.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 91733937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).