2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid

C15H23IO2Si — CID 139606604

IUPAC2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid
SMILESCCC(CC[Si](C)(C)C)(C(=O)O)c1ccccc1I
InChIInChI=1S/C15H23IO2Si/c1-5-15(14(17)18,10-11-19(2,3)4)12-8-6-7-9-13(12)16/h6-9H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyXJQDIFGQURZWDQ-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.75
Rot. Bonds6

About 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid

2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid (PubChem CID 139606604) has the molecular formula C15H23IO2Si and a molecular weight of 390.34 g/mol. Its IUPAC name is 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid
PubChem CID139606604
Molecular FormulaC15H23IO2Si
Molecular Weight390.34 g/mol
Exact Mass390.05
IUPAC Name2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid
SMILESCCC(CC[Si](C)(C)C)(C(=O)O)c1ccccc1I
InChIInChI=1S/C15H23IO2Si/c1-5-15(14(17)18,10-11-19(2,3)4)12-8-6-7-9-13(12)16/h6-9H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyXJQDIFGQURZWDQ-UHFFFAOYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
2-ethyl-2-(2-iodophenyl)butan-1-ol
CID 12072771
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 143731245
(3-carboxy-3-phenylpentyl)-methylazanium
CID 143227048
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
[(1S)-1-(2-iodophenyl)-1-methoxypropyl] N-benzylcarbamate
CID 141371940
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
[1-(2-iodophenyl)-1-methoxybutyl]-propan-2-ylcarbamic acid
CID 135373931
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-ethyl-2-phenyldecanedioic acid
CID 159619008
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid?
The IUPAC name of 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid (CID 139606604) is 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid?
The canonical SMILES for 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid is CCC(CC[Si](C)(C)C)(C(=O)O)c1ccccc1I.
What is the InChIKey of 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid?
The InChIKey is XJQDIFGQURZWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IO2Si/c1-5-15(14(17)18,10-11-19(2,3)4)12-8-6-7-9-13(12)16/h6-9H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid?
2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid has a molecular weight of 390.34 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid is sourced from PubChem (CID 139606604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).