methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate

C10H12O5 — CID 54688673

IUPACmethyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)O/C1=C\C(C)C
InChIInChI=1S/C10H12O5/c1-5(2)4-6-7(9(12)14-3)8(11)10(13)15-6/h4-5,11H,1-3H3/b6-4-
InChIKeyLARPRWGEDUOTKA-XQRVVYSFSA-N
MW212.20 g/mol
LogP1.07
Rot. Bonds2

About methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate

methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate (PubChem CID 54688673) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate
PubChem CID54688673
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)O/C1=C\C(C)C
InChIInChI=1S/C10H12O5/c1-5(2)4-6-7(9(12)14-3)8(11)10(13)15-6/h4-5,11H,1-3H3/b6-4-
InChIKeyLARPRWGEDUOTKA-XQRVVYSFSA-N
XLogP1.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate?
The IUPAC name of methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate (CID 54688673) is methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate.
What is the SMILES notation for methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate?
The canonical SMILES for methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate is COC(=O)C1=C(O)C(=O)O/C1=C\C(C)C.
What is the InChIKey of methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate?
The InChIKey is LARPRWGEDUOTKA-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H12O5/c1-5(2)4-6-7(9(12)14-3)8(11)10(13)15-6/h4-5,11H,1-3H3/b6-4-.
What are the key properties of methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate?
methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate is sourced from PubChem (CID 54688673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).