5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid

C10H12O4 — CID 738355

IUPAC5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid
SMILESC/C(=C\c1cc(C(=O)O)c(C)o1)CO
InChIInChI=1S/C10H12O4/c1-6(5-11)3-8-4-9(10(12)13)7(2)14-8/h3-4,11H,5H2,1-2H3,(H,12,13)/b6-3+
InChIKeyXTAIEJZQCKMICC-ZZXKWVIFSA-N
MW196.20 g/mol
LogP1.68
Rot. Bonds3

About 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid

5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid (PubChem CID 738355) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid
PubChem CID738355
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid
SMILESC/C(=C\c1cc(C(=O)O)c(C)o1)CO
InChIInChI=1S/C10H12O4/c1-6(5-11)3-8-4-9(10(12)13)7(2)14-8/h3-4,11H,5H2,1-2H3,(H,12,13)/b6-3+
InChIKeyXTAIEJZQCKMICC-ZZXKWVIFSA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid (CID 738355) is 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid is C/C(=C\c1cc(C(=O)O)c(C)o1)CO.
What is the InChIKey of 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is XTAIEJZQCKMICC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H12O4/c1-6(5-11)3-8-4-9(10(12)13)7(2)14-8/h3-4,11H,5H2,1-2H3,(H,12,13)/b6-3+.
What are the key properties of 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid?
5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 738355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).