4-methoxycarbonylfuran-3-carboxylate

C7H5O5- — CID 18696610

IUPAC4-methoxycarbonylfuran-3-carboxylate
SMILESCOC(=O)c1cocc1C(=O)[O-]
InChIInChI=1S/C7H6O5/c1-11-7(10)5-3-12-2-4(5)6(8)9/h2-3H,1H3,(H,8,9)/p-1
InChIKeyLWUGISMNFCGOIY-UHFFFAOYSA-M
MW169.11 g/mol
LogP-0.57
Rot. Bonds2

About 4-methoxycarbonylfuran-3-carboxylate

4-methoxycarbonylfuran-3-carboxylate (PubChem CID 18696610) has the molecular formula C7H5O5- and a molecular weight of 169.11 g/mol. Its IUPAC name is 4-methoxycarbonylfuran-3-carboxylate.

Molecular Properties

Compound Name4-methoxycarbonylfuran-3-carboxylate
PubChem CID18696610
Molecular FormulaC7H5O5-
Molecular Weight169.11 g/mol
Exact Mass169.01
IUPAC Name4-methoxycarbonylfuran-3-carboxylate
SMILESCOC(=O)c1cocc1C(=O)[O-]
InChIInChI=1S/C7H6O5/c1-11-7(10)5-3-12-2-4(5)6(8)9/h2-3H,1H3,(H,8,9)/p-1
InChIKeyLWUGISMNFCGOIY-UHFFFAOYSA-M
XLogP-0.57
TPSA79.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-2-methoxycarbonylbenzoate
CID 71345963
methyl 4-(4-hydroxyphenyl)furan-3-carboxylate
CID 117223672
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
4-formyl-2-methoxycarbonylbenzoate
CID 170985787
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
dimethyl 3-hydroxy-4-oxopyran-2,5-dicarboxylate
CID 137347194
disodium;3-methoxycarbonyl-2-sulfobenzene-5-ide-1-carboxylate
CID 160597550
methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonylfuran-3-carboxylate?
The IUPAC name of 4-methoxycarbonylfuran-3-carboxylate (CID 18696610) is 4-methoxycarbonylfuran-3-carboxylate.
What is the SMILES notation for 4-methoxycarbonylfuran-3-carboxylate?
The canonical SMILES for 4-methoxycarbonylfuran-3-carboxylate is COC(=O)c1cocc1C(=O)[O-].
What is the InChIKey of 4-methoxycarbonylfuran-3-carboxylate?
The InChIKey is LWUGISMNFCGOIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O5/c1-11-7(10)5-3-12-2-4(5)6(8)9/h2-3H,1H3,(H,8,9)/p-1.
What are the key properties of 4-methoxycarbonylfuran-3-carboxylate?
4-methoxycarbonylfuran-3-carboxylate has a molecular weight of 169.11 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonylfuran-3-carboxylate is sourced from PubChem (CID 18696610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).