3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid

C13H18O4Si — CID 167737995

IUPAC3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid
SMILESC[Si](C)(C)Oc1ccc(CCC(=O)O)cc1C=O
InChIInChI=1S/C13H18O4Si/c1-18(2,3)17-12-6-4-10(5-7-13(15)16)8-11(12)9-14/h4,6,8-9H,5,7H2,1-3H3,(H,15,16)
InChIKeyLZRWQGKEWOOGLQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.73
Rot. Bonds6

About 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid

3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid (PubChem CID 167737995) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid
PubChem CID167737995
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Name3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid
SMILESC[Si](C)(C)Oc1ccc(CCC(=O)O)cc1C=O
InChIInChI=1S/C13H18O4Si/c1-18(2,3)17-12-6-4-10(5-7-13(15)16)8-11(12)9-14/h4,6,8-9H,5,7H2,1-3H3,(H,15,16)
InChIKeyLZRWQGKEWOOGLQ-UHFFFAOYSA-N
XLogP2.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxy-3-formylphenyl)propanoic acid
CID 138986606
5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde
CID 167714406
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
ethyl 3-formyl-4-trimethylsilyloxybenzoate
CID 167723908
4-(2-carboxyethyl)phenolate
CID 101364536
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
3-[3-[(E)-2-carboxyethenyl]-4-methylphenyl]propanoic acid
CID 134628608
3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
CID 82050366
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-(3-methyl-2,1-benzoxazol-5-yl)propanoic acid
CID 105457077
3-(3,4-dibenzoyloxyphenyl)propanoic acid
CID 19097459
5-(2-carboxyethyl)-2-ethoxybenzoic acid
CID 82052360

Frequently Asked Questions

What is the IUPAC name of 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid?
The IUPAC name of 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid (CID 167737995) is 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid is C[Si](C)(C)Oc1ccc(CCC(=O)O)cc1C=O.
What is the InChIKey of 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid?
The InChIKey is LZRWQGKEWOOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-18(2,3)17-12-6-4-10(5-7-13(15)16)8-11(12)9-14/h4,6,8-9H,5,7H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid?
3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid has a molecular weight of 266.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formyl-4-trimethylsilyloxyphenyl)propanoic acid is sourced from PubChem (CID 167737995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).