6-(furan-2-yl)-6-oxohexanoic acid

C10H12O4 — CID 96622261

IUPAC6-(furan-2-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)c1ccco1
InChIInChI=1S/C10H12O4/c11-8(9-5-3-7-14-9)4-1-2-6-10(12)13/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyAJHIHROSGVZPED-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.11
Rot. Bonds6

About 6-(furan-2-yl)-6-oxohexanoic acid

6-(furan-2-yl)-6-oxohexanoic acid (PubChem CID 96622261) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-(furan-2-yl)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-6-oxohexanoic acid
PubChem CID96622261
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6-(furan-2-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)c1ccco1
InChIInChI=1S/C10H12O4/c11-8(9-5-3-7-14-9)4-1-2-6-10(12)13/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyAJHIHROSGVZPED-UHFFFAOYSA-N
XLogP2.11
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-6-hydroxyhexan-1-one
CID 58637371
1-(furan-2-yl)undecan-1-one
CID 15721327
4-bromo-1-(furan-2-yl)butan-1-one
CID 3503830
4-ethoxy-1-(furan-2-yl)butan-1-one
CID 105099293
furan-2-carboxylic acid;gold
CID 174701575
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
3-(furan-2-carbonylamino)propanoic acid
CID 762504
1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
CID 67841364
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
CID 70926690
1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 70926976

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-6-oxohexanoic acid?
The IUPAC name of 6-(furan-2-yl)-6-oxohexanoic acid (CID 96622261) is 6-(furan-2-yl)-6-oxohexanoic acid.
What is the SMILES notation for 6-(furan-2-yl)-6-oxohexanoic acid?
The canonical SMILES for 6-(furan-2-yl)-6-oxohexanoic acid is O=C(O)CCCCC(=O)c1ccco1.
What is the InChIKey of 6-(furan-2-yl)-6-oxohexanoic acid?
The InChIKey is AJHIHROSGVZPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-8(9-5-3-7-14-9)4-1-2-6-10(12)13/h3,5,7H,1-2,4,6H2,(H,12,13).
What are the key properties of 6-(furan-2-yl)-6-oxohexanoic acid?
6-(furan-2-yl)-6-oxohexanoic acid has a molecular weight of 196.20 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-6-oxohexanoic acid is sourced from PubChem (CID 96622261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).