5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid

C10H12O4 — CID 84720708

IUPAC5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid
SMILESCC(C)(C)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12O4/c1-10(2,3)8(11)6-4-5-7(14-6)9(12)13/h4-5H,1-3H3,(H,12,13)
InChIKeyMHSZNROHSFQDSZ-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.21
Rot. Bonds2

About 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid

5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid (PubChem CID 84720708) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid
PubChem CID84720708
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid
SMILESCC(C)(C)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12O4/c1-10(2,3)8(11)6-4-5-7(14-6)9(12)13/h4-5H,1-3H3,(H,12,13)
InChIKeyMHSZNROHSFQDSZ-UHFFFAOYSA-N
XLogP2.21
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2,5-dicarboxylic acid;indigane
CID 174700126
1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one
CID 82374124
1-(5-tert-butylfuran-2-yl)-2,2-dimethylpropan-1-one
CID 12610611
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carboxylic acid
CID 87075699
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
1-[5-(1,3-dioxolan-2-yl)furan-2-yl]-2,2-dimethylpropan-1-one
CID 102517992
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
CID 170903953
5-trimethylgermylfuran-2-carboxylic acid
CID 13199575
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid (CID 84720708) is 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid is CC(C)(C)C(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid?
The InChIKey is MHSZNROHSFQDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-10(2,3)8(11)6-4-5-7(14-6)9(12)13/h4-5H,1-3H3,(H,12,13).
What are the key properties of 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid?
5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid is sourced from PubChem (CID 84720708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).