5-pentanoylfuran-2-carboxylic acid

C10H12O4 — CID 97034823

IUPAC5-pentanoylfuran-2-carboxylic acid
SMILESCCCCC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12O4/c1-2-3-4-7(11)8-5-6-9(14-8)10(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyYDLFJJPMKSRNOO-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.35
Rot. Bonds5

About 5-pentanoylfuran-2-carboxylic acid

5-pentanoylfuran-2-carboxylic acid (PubChem CID 97034823) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-pentanoylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-pentanoylfuran-2-carboxylic acid
PubChem CID97034823
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-pentanoylfuran-2-carboxylic acid
SMILESCCCCC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12O4/c1-2-3-4-7(11)8-5-6-9(14-8)10(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyYDLFJJPMKSRNOO-UHFFFAOYSA-N
XLogP2.35
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(1,2-dihydroxypropyl)furan-2-yl]pentan-1-one
CID 156581593
1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
1-(5-bromofuran-2-yl)tridecan-1-one
CID 12603011
1-(5-bromofuran-2-yl)heptan-1-one
CID 114752198
1-(5-chlorofuran-2-yl)nonan-1-one
CID 106690921
5-(2-propoxyacetyl)furan-2-carboxylic acid
CID 107944894
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672

Frequently Asked Questions

What is the IUPAC name of 5-pentanoylfuran-2-carboxylic acid?
The IUPAC name of 5-pentanoylfuran-2-carboxylic acid (CID 97034823) is 5-pentanoylfuran-2-carboxylic acid.
What is the SMILES notation for 5-pentanoylfuran-2-carboxylic acid?
The canonical SMILES for 5-pentanoylfuran-2-carboxylic acid is CCCCC(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-pentanoylfuran-2-carboxylic acid?
The InChIKey is YDLFJJPMKSRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-3-4-7(11)8-5-6-9(14-8)10(12)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-pentanoylfuran-2-carboxylic acid?
5-pentanoylfuran-2-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentanoylfuran-2-carboxylic acid is sourced from PubChem (CID 97034823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).