2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid

C11H14O4 — CID 79367749

IUPAC2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid
SMILESCCc1ccc(C2OCCC2C(=O)O)o1
InChIInChI=1S/C11H14O4/c1-2-7-3-4-9(15-7)10-8(11(12)13)5-6-14-10/h3-4,8,10H,2,5-6H2,1H3,(H,12,13)
InChIKeyNVVDTWISVDKMSP-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.00
Rot. Bonds3

About 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid

2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid (PubChem CID 79367749) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid
PubChem CID79367749
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid
SMILESCCc1ccc(C2OCCC2C(=O)O)o1
InChIInChI=1S/C11H14O4/c1-2-7-3-4-9(15-7)10-8(11(12)13)5-6-14-10/h3-4,8,10H,2,5-6H2,1H3,(H,12,13)
InChIKeyNVVDTWISVDKMSP-UHFFFAOYSA-N
XLogP2.00
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-ethylfuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367853
2-(5-nitrofuran-2-yl)oxolane-3-carboxylic acid
CID 79367934
N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364973
(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773986
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 119185554
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
CID 79978253
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
1-[(5-ethylfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470950
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
2-(3-bromo-4-methylphenyl)oxolane-3-carboxylic acid
CID 105411654

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid?
The IUPAC name of 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid (CID 79367749) is 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid is CCc1ccc(C2OCCC2C(=O)O)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid?
The InChIKey is NVVDTWISVDKMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-7-3-4-9(15-7)10-8(11(12)13)5-6-14-10/h3-4,8,10H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid?
2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 79367749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).