4-(1-trimethylsilyloxyethenyl)benzoic acid

C12H16O3Si — CID 67591358

IUPAC4-(1-trimethylsilyloxyethenyl)benzoic acid
SMILESC=C(O[Si](C)(C)C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H16O3Si/c1-9(15-16(2,3)4)10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2-4H3,(H,13,14)
InChIKeySQGPILLDNAZWEH-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.21
Rot. Bonds4

About 4-(1-trimethylsilyloxyethenyl)benzoic acid

4-(1-trimethylsilyloxyethenyl)benzoic acid (PubChem CID 67591358) has the molecular formula C12H16O3Si and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(1-trimethylsilyloxyethenyl)benzoic acid.

Molecular Properties

Compound Name4-(1-trimethylsilyloxyethenyl)benzoic acid
PubChem CID67591358
Molecular FormulaC12H16O3Si
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name4-(1-trimethylsilyloxyethenyl)benzoic acid
SMILESC=C(O[Si](C)(C)C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H16O3Si/c1-9(15-16(2,3)4)10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2-4H3,(H,13,14)
InChIKeySQGPILLDNAZWEH-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-trimethylsilyloxyethenyl)benzoic acid?
The IUPAC name of 4-(1-trimethylsilyloxyethenyl)benzoic acid (CID 67591358) is 4-(1-trimethylsilyloxyethenyl)benzoic acid.
What is the SMILES notation for 4-(1-trimethylsilyloxyethenyl)benzoic acid?
The canonical SMILES for 4-(1-trimethylsilyloxyethenyl)benzoic acid is C=C(O[Si](C)(C)C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-trimethylsilyloxyethenyl)benzoic acid?
The InChIKey is SQGPILLDNAZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3Si/c1-9(15-16(2,3)4)10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2-4H3,(H,13,14).
What are the key properties of 4-(1-trimethylsilyloxyethenyl)benzoic acid?
4-(1-trimethylsilyloxyethenyl)benzoic acid has a molecular weight of 236.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-trimethylsilyloxyethenyl)benzoic acid is sourced from PubChem (CID 67591358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).