5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid

C10H12Br2O3S — CID 62942411

IUPAC5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2O3S/c1-5(3-9(14)15)2-7(13)6-4-8(11)16-10(6)12/h4-5,7,13H,2-3H2,1H3,(H,14,15)
InChIKeyWQENIPXLPXYLOF-UHFFFAOYSA-N
MW372.08 g/mol
LogP3.81
Rot. Bonds5

About 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid

5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid (PubChem CID 62942411) has the molecular formula C10H12Br2O3S and a molecular weight of 372.08 g/mol. Its IUPAC name is 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid
PubChem CID62942411
Molecular FormulaC10H12Br2O3S
Molecular Weight372.08 g/mol
Exact Mass369.89
IUPAC Name5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2O3S/c1-5(3-9(14)15)2-7(13)6-4-8(11)16-10(6)12/h4-5,7,13H,2-3H2,1H3,(H,14,15)
InChIKeyWQENIPXLPXYLOF-UHFFFAOYSA-N
XLogP3.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.08
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid?
The IUPAC name of 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid (CID 62942411) is 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid?
The canonical SMILES for 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid is CC(CC(=O)O)CC(O)c1cc(Br)sc1Br.
What is the InChIKey of 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid?
The InChIKey is WQENIPXLPXYLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O3S/c1-5(3-9(14)15)2-7(13)6-4-8(11)16-10(6)12/h4-5,7,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid?
5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid has a molecular weight of 372.08 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 62942411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).