3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid

C12H16O5Si — CID 167740684

IUPAC3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(C=O)c1O[Si](C)(C)C
InChIInChI=1S/C12H16O5Si/c1-16-10-6-8(12(14)15)5-9(7-13)11(10)17-18(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyVSAHVJZQWAIYKI-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.42
Rot. Bonds5

About 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid

3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid (PubChem CID 167740684) has the molecular formula C12H16O5Si and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid
PubChem CID167740684
Molecular FormulaC12H16O5Si
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Name3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(C=O)c1O[Si](C)(C)C
InChIInChI=1S/C12H16O5Si/c1-16-10-6-8(12(14)15)5-9(7-13)11(10)17-18(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyVSAHVJZQWAIYKI-UHFFFAOYSA-N
XLogP2.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid?
The IUPAC name of 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid (CID 167740684) is 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid?
The canonical SMILES for 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid is COc1cc(C(=O)O)cc(C=O)c1O[Si](C)(C)C.
What is the InChIKey of 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid?
The InChIKey is VSAHVJZQWAIYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5Si/c1-16-10-6-8(12(14)15)5-9(7-13)11(10)17-18(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid?
3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid has a molecular weight of 268.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167740684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).