2-(furan-2-yl)oxolane-2-carboxylic acid

C9H10O4 — CID 178200785

IUPAC2-(furan-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(c2ccco2)CCCO1
InChIInChI=1S/C9H10O4/c10-8(11)9(4-2-6-13-9)7-3-1-5-12-7/h1,3,5H,2,4,6H2,(H,10,11)
InChIKeyQEAALUOCBMXGKK-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.37
Rot. Bonds2

About 2-(furan-2-yl)oxolane-2-carboxylic acid

2-(furan-2-yl)oxolane-2-carboxylic acid (PubChem CID 178200785) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(furan-2-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)oxolane-2-carboxylic acid
PubChem CID178200785
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name2-(furan-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(c2ccco2)CCCO1
InChIInChI=1S/C9H10O4/c10-8(11)9(4-2-6-13-9)7-3-1-5-12-7/h1,3,5H,2,4,6H2,(H,10,11)
InChIKeyQEAALUOCBMXGKK-UHFFFAOYSA-N
XLogP1.37
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid
CID 177309811
2-(2-methoxyoxolan-2-yl)furan
CID 141004568
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
2-phenanthren-3-yloxolane-2-carboxylic acid
CID 174777759
methyl 2-phenyloxolane-2-carboxylate
CID 164680656
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855
3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 83531251
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 114990379
1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone
CID 11458439
[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate
CID 138534197
oxolane-2,2-dicarboxylic acid;hydrochloride
CID 69015616
2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62388314

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)oxolane-2-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)oxolane-2-carboxylic acid (CID 178200785) is 2-(furan-2-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)oxolane-2-carboxylic acid is O=C(O)C1(c2ccco2)CCCO1.
What is the InChIKey of 2-(furan-2-yl)oxolane-2-carboxylic acid?
The InChIKey is QEAALUOCBMXGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-8(11)9(4-2-6-13-9)7-3-1-5-12-7/h1,3,5H,2,4,6H2,(H,10,11).
What are the key properties of 2-(furan-2-yl)oxolane-2-carboxylic acid?
2-(furan-2-yl)oxolane-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 178200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).