methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate

C10H12O5 — CID 101231242

IUPACmethyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate
SMILESCOC(=O)C1([C@H](C)CC=O)C=CC(=O)O1
InChIInChI=1S/C10H12O5/c1-7(4-6-11)10(9(13)14-2)5-3-8(12)15-10/h3,5-7H,4H2,1-2H3/t7-,10?/m1/s1
InChIKeyJKPBGIUPFTUWBE-PVSHWOEXSA-N
MW212.20 g/mol
LogP0.24
Rot. Bonds4

About methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate

methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate (PubChem CID 101231242) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate
PubChem CID101231242
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate
SMILESCOC(=O)C1([C@H](C)CC=O)C=CC(=O)O1
InChIInChI=1S/C10H12O5/c1-7(4-6-11)10(9(13)14-2)5-3-8(12)15-10/h3,5-7H,4H2,1-2H3/t7-,10?/m1/s1
InChIKeyJKPBGIUPFTUWBE-PVSHWOEXSA-N
XLogP0.24
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate?
The IUPAC name of methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate (CID 101231242) is methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate?
The canonical SMILES for methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate is COC(=O)C1([C@H](C)CC=O)C=CC(=O)O1.
What is the InChIKey of methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate?
The InChIKey is JKPBGIUPFTUWBE-PVSHWOEXSA-N. The full InChI is InChI=1S/C10H12O5/c1-7(4-6-11)10(9(13)14-2)5-3-8(12)15-10/h3,5-7H,4H2,1-2H3/t7-,10?/m1/s1.
What are the key properties of methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate?
methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2-[(2R)-4-oxobutan-2-yl]furan-2-carboxylate is sourced from PubChem (CID 101231242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).