4-thiophen-2-yl-4-triethylsilyloxybutanoic acid

C14H24O3SSi — CID 177439377

IUPAC4-thiophen-2-yl-4-triethylsilyloxybutanoic acid
SMILESCC[Si](CC)(CC)OC(CCC(=O)O)c1cccs1
InChIInChI=1S/C14H24O3SSi/c1-4-19(5-2,6-3)17-12(9-10-14(15)16)13-8-7-11-18-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16)
InChIKeyJTAQZJCWRSTJGE-UHFFFAOYSA-N
MW300.50 g/mol
LogP4.68
Rot. Bonds9

About 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid

4-thiophen-2-yl-4-triethylsilyloxybutanoic acid (PubChem CID 177439377) has the molecular formula C14H24O3SSi and a molecular weight of 300.50 g/mol. Its IUPAC name is 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid.

Molecular Properties

Compound Name4-thiophen-2-yl-4-triethylsilyloxybutanoic acid
PubChem CID177439377
Molecular FormulaC14H24O3SSi
Molecular Weight300.50 g/mol
Exact Mass300.12
IUPAC Name4-thiophen-2-yl-4-triethylsilyloxybutanoic acid
SMILESCC[Si](CC)(CC)OC(CCC(=O)O)c1cccs1
InChIInChI=1S/C14H24O3SSi/c1-4-19(5-2,6-3)17-12(9-10-14(15)16)13-8-7-11-18-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16)
InChIKeyJTAQZJCWRSTJGE-UHFFFAOYSA-N
XLogP4.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane
CID 11464479
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
3-(butanoylamino)-3-thiophen-2-ylpropanoic acid
CID 60750131
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 70067264
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
4-amino-4-thiophen-2-ylbutanamide
CID 60860619

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid?
The IUPAC name of 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid (CID 177439377) is 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid.
What is the SMILES notation for 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid?
The canonical SMILES for 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid is CC[Si](CC)(CC)OC(CCC(=O)O)c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid?
The InChIKey is JTAQZJCWRSTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3SSi/c1-4-19(5-2,6-3)17-12(9-10-14(15)16)13-8-7-11-18-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16).
What are the key properties of 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid?
4-thiophen-2-yl-4-triethylsilyloxybutanoic acid has a molecular weight of 300.50 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-4-triethylsilyloxybutanoic acid is sourced from PubChem (CID 177439377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).