bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid

C16H16O10 — CID 159863947

IUPACbis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid
SMILESCCOC(=O)c1ccc(CC)o1.O=C(O)c1ccco1.O=C=O.O=C=O
InChIInChI=1S/C9H12O3.C5H4O3.2CO2/c1-3-7-5-6-8(12-7)9(10)11-4-2;6-5(7)4-2-1-3-8-4;2*2-1-3/h5-6H,3-4H2,1-2H3;1-3H,(H,6,7);;
InChIKeyNRMPHPUZSMJZNS-UHFFFAOYSA-N
MW368.29 g/mol
LogP1.83
Rot. Bonds4

About bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid

bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid (PubChem CID 159863947) has the molecular formula C16H16O10 and a molecular weight of 368.29 g/mol. Its IUPAC name is bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid.

Molecular Properties

Compound Namebis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid
PubChem CID159863947
Molecular FormulaC16H16O10
Molecular Weight368.29 g/mol
Exact Mass368.07
IUPAC Namebis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid
SMILESCCOC(=O)c1ccc(CC)o1.O=C(O)c1ccco1.O=C=O.O=C=O
InChIInChI=1S/C9H12O3.C5H4O3.2CO2/c1-3-7-5-6-8(12-7)9(10)11-4-2;6-5(7)4-2-1-3-8-4;2*2-1-3/h5-6H,3-4H2,1-2H3;1-3H,(H,6,7);;
InChIKeyNRMPHPUZSMJZNS-UHFFFAOYSA-N
XLogP1.83
TPSA158.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

furan-2-carboxylic acid;methanamine
CID 82372767
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
furan-2-carboxylic acid;methanol
CID 70611195
furan-2-carboxylic acid;hexane
CID 157215891
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;gold
CID 174701575
ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate
CID 139792622
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
3-[(5-ethoxycarbonylfuran-2-yl)methyl]pentan-3-ylazanium
CID 22299463

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid?
The IUPAC name of bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid (CID 159863947) is bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid.
What is the SMILES notation for bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid?
The canonical SMILES for bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid is CCOC(=O)c1ccc(CC)o1.O=C(O)c1ccco1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid?
The InChIKey is NRMPHPUZSMJZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C5H4O3.2CO2/c1-3-7-5-6-8(12-7)9(10)11-4-2;6-5(7)4-2-1-3-8-4;2*2-1-3/h5-6H,3-4H2,1-2H3;1-3H,(H,6,7);;.
What are the key properties of bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid?
bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid has a molecular weight of 368.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid is sourced from PubChem (CID 159863947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).