dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid

C14H12O10 — CID 141444077

IUPACdimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
SMILESCOC(=O)c1ccc(C(=O)OC)o1.O=C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H8O5.C6H4O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2;7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H3;1-2H,(H,7,8)(H,9,10)
InChIKeyYDUXGHVRZQBSQO-UHFFFAOYSA-N
MW340.24 g/mol
LogP1.53
Rot. Bonds4

About dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid

dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid (PubChem CID 141444077) has the molecular formula C14H12O10 and a molecular weight of 340.24 g/mol. Its IUPAC name is dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid.

Molecular Properties

Compound Namedimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
PubChem CID141444077
Molecular FormulaC14H12O10
Molecular Weight340.24 g/mol
Exact Mass340.04
IUPAC Namedimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
SMILESCOC(=O)c1ccc(C(=O)OC)o1.O=C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H8O5.C6H4O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2;7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H3;1-2H,(H,7,8)(H,9,10)
InChIKeyYDUXGHVRZQBSQO-UHFFFAOYSA-N
XLogP1.53
TPSA153.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378
methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate
CID 163195882
methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate
CID 21387630
methyl 5-methylsulfinylfuran-2-carboxylate
CID 163367642
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]furan-2-carboxylate
CID 106946577
methyl 5-(3-methoxy-3-methylbutanoyl)furan-2-carboxylate
CID 106946556
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043

Frequently Asked Questions

What is the IUPAC name of dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid?
The IUPAC name of dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid (CID 141444077) is dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid.
What is the SMILES notation for dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid?
The canonical SMILES for dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid is COC(=O)c1ccc(C(=O)OC)o1.O=C(O)c1ccc(C(=O)O)o1.
What is the InChIKey of dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid?
The InChIKey is YDUXGHVRZQBSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5.C6H4O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2;7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H3;1-2H,(H,7,8)(H,9,10).
What are the key properties of dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid?
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid has a molecular weight of 340.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid is sourced from PubChem (CID 141444077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).