methyl 3,4-bis(trimethylsilyloxy)benzoate

C14H24O4Si2 — CID 606219

IUPACmethyl 3,4-bis(trimethylsilyloxy)benzoate
SMILESCOC(=O)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C14H24O4Si2/c1-16-14(15)11-8-9-12(17-19(2,3)4)13(10-11)18-20(5,6)7/h8-10H,1-7H3
InChIKeyFZDWHVAPZJLLCL-UHFFFAOYSA-N
MW312.51 g/mol
LogP3.90
Rot. Bonds5

About methyl 3,4-bis(trimethylsilyloxy)benzoate

methyl 3,4-bis(trimethylsilyloxy)benzoate (PubChem CID 606219) has the molecular formula C14H24O4Si2 and a molecular weight of 312.51 g/mol. Its IUPAC name is methyl 3,4-bis(trimethylsilyloxy)benzoate.

Molecular Properties

Compound Namemethyl 3,4-bis(trimethylsilyloxy)benzoate
PubChem CID606219
Molecular FormulaC14H24O4Si2
Molecular Weight312.51 g/mol
Exact Mass312.12
IUPAC Namemethyl 3,4-bis(trimethylsilyloxy)benzoate
SMILESCOC(=O)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C14H24O4Si2/c1-16-14(15)11-8-9-12(17-19(2,3)4)13(10-11)18-20(5,6)7/h8-10H,1-7H3
InChIKeyFZDWHVAPZJLLCL-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 53.90
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

methyl 3-carbamoyl-4-trimethylsilyloxybenzoate
CID 167736189
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 3-nitro-4-(trimethylsilylmethoxy)benzoate
CID 56529289
methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate
CID 172869627
methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
CID 141235728
methyl 4-iodo-2-trimethylsilyloxybenzoate
CID 167737475
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 4-ethoxy-3-propan-2-ylbenzoate
CID 82554090

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-bis(trimethylsilyloxy)benzoate?
The IUPAC name of methyl 3,4-bis(trimethylsilyloxy)benzoate (CID 606219) is methyl 3,4-bis(trimethylsilyloxy)benzoate.
What is the SMILES notation for methyl 3,4-bis(trimethylsilyloxy)benzoate?
The canonical SMILES for methyl 3,4-bis(trimethylsilyloxy)benzoate is COC(=O)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1.
What is the InChIKey of methyl 3,4-bis(trimethylsilyloxy)benzoate?
The InChIKey is FZDWHVAPZJLLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si2/c1-16-14(15)11-8-9-12(17-19(2,3)4)13(10-11)18-20(5,6)7/h8-10H,1-7H3.
What are the key properties of methyl 3,4-bis(trimethylsilyloxy)benzoate?
methyl 3,4-bis(trimethylsilyloxy)benzoate has a molecular weight of 312.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-bis(trimethylsilyloxy)benzoate is sourced from PubChem (CID 606219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).