ethyl 3-formyl-4-trimethylsilyloxybenzoate

C13H18O4Si — CID 167723908

IUPACethyl 3-formyl-4-trimethylsilyloxybenzoate
SMILESCCOC(=O)c1ccc(O[Si](C)(C)C)c(C=O)c1
InChIInChI=1S/C13H18O4Si/c1-5-16-13(15)10-6-7-12(11(8-10)9-14)17-18(2,3)4/h6-9H,5H2,1-4H3
InChIKeyCGSZMOMICIXKJO-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.89
Rot. Bonds5

About ethyl 3-formyl-4-trimethylsilyloxybenzoate

ethyl 3-formyl-4-trimethylsilyloxybenzoate (PubChem CID 167723908) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is ethyl 3-formyl-4-trimethylsilyloxybenzoate.

Molecular Properties

Compound Nameethyl 3-formyl-4-trimethylsilyloxybenzoate
PubChem CID167723908
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Nameethyl 3-formyl-4-trimethylsilyloxybenzoate
SMILESCCOC(=O)c1ccc(O[Si](C)(C)C)c(C=O)c1
InChIInChI=1S/C13H18O4Si/c1-5-16-13(15)10-6-7-12(11(8-10)9-14)17-18(2,3)4/h6-9H,5H2,1-4H3
InChIKeyCGSZMOMICIXKJO-UHFFFAOYSA-N
XLogP2.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-formyl-4-(3-oxopropyl)benzoate
CID 134643872
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 4-(2-chloropropanoyl)-3-formylbenzoate
CID 134641196
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
diethyl benzene-1,3-dicarboxylate
CID 12491
3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid
CID 167737995
ethyl 3,4-bis(ethoxycarbonyloxy)benzoate
CID 166550194
methyl 3,4-bis(trimethylsilyloxy)benzoate
CID 606219
ethyl 3-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoate
CID 136794468
ethyl 4-methoxy-3-(1,2,4-triazol-4-yl)benzoate
CID 56737237
(4-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 74889503
(5-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 130058683

Frequently Asked Questions

What is the IUPAC name of ethyl 3-formyl-4-trimethylsilyloxybenzoate?
The IUPAC name of ethyl 3-formyl-4-trimethylsilyloxybenzoate (CID 167723908) is ethyl 3-formyl-4-trimethylsilyloxybenzoate.
What is the SMILES notation for ethyl 3-formyl-4-trimethylsilyloxybenzoate?
The canonical SMILES for ethyl 3-formyl-4-trimethylsilyloxybenzoate is CCOC(=O)c1ccc(O[Si](C)(C)C)c(C=O)c1.
What is the InChIKey of ethyl 3-formyl-4-trimethylsilyloxybenzoate?
The InChIKey is CGSZMOMICIXKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-5-16-13(15)10-6-7-12(11(8-10)9-14)17-18(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 3-formyl-4-trimethylsilyloxybenzoate?
ethyl 3-formyl-4-trimethylsilyloxybenzoate has a molecular weight of 266.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-formyl-4-trimethylsilyloxybenzoate is sourced from PubChem (CID 167723908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).