4,5-bis(ethenyl)furan-2-carboxylic acid;ethane

C11H14O3 — CID 143305164

IUPAC4,5-bis(ethenyl)furan-2-carboxylic acid;ethane
SMILESC=Cc1cc(C(=O)O)oc1C=C.CC
InChIInChI=1S/C9H8O3.C2H6/c1-3-6-5-8(9(10)11)12-7(6)4-2;1-2/h3-5H,1-2H2,(H,10,11);1-2H3
InChIKeyOUKCUWJLWMKORD-UHFFFAOYSA-N
MW194.23 g/mol
LogP3.29
Rot. Bonds3

About 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane

4,5-bis(ethenyl)furan-2-carboxylic acid;ethane (PubChem CID 143305164) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)furan-2-carboxylic acid;ethane
PubChem CID143305164
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4,5-bis(ethenyl)furan-2-carboxylic acid;ethane
SMILESC=Cc1cc(C(=O)O)oc1C=C.CC
InChIInChI=1S/C9H8O3.C2H6/c1-3-6-5-8(9(10)11)12-7(6)4-2;1-2/h3-5H,1-2H2,(H,10,11);1-2H3
InChIKeyOUKCUWJLWMKORD-UHFFFAOYSA-N
XLogP3.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-formyl-4-methylfuran-2-carboxylic acid
CID 83681206
5-chloro-2-ethenyl-4-methylbenzoic acid
CID 130591320
5-methyl-4-sulfanylfuran-2-carboxylic acid
CID 89383113
ethane;3-ethenyl-4-(methylamino)benzoic acid
CID 145311632
5-(carboxymethyl)-4-methylfuran-2-carboxylic acid
CID 112712441
4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 143604934
4-chloro-5-methylfuran-2-carboxylic acid
CID 81446002
5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid
CID 74892714
ethane;4-oxopyran-2-carboxylic acid
CID 144946008
5-(methoxymethyl)-4-methylfuran-2-carboxylic acid
CID 146256731
(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid
CID 139338173
4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid
CID 68713889

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane?
The IUPAC name of 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane (CID 143305164) is 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane?
The canonical SMILES for 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane is C=Cc1cc(C(=O)O)oc1C=C.CC.
What is the InChIKey of 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane?
The InChIKey is OUKCUWJLWMKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.C2H6/c1-3-6-5-8(9(10)11)12-7(6)4-2;1-2/h3-5H,1-2H2,(H,10,11);1-2H3.
What are the key properties of 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane?
4,5-bis(ethenyl)furan-2-carboxylic acid;ethane has a molecular weight of 194.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)furan-2-carboxylic acid;ethane is sourced from PubChem (CID 143305164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).