ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate

C8H10O5 — CID 67725169

IUPACethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)O[C@@H]1C
InChIInChI=1S/C8H10O5/c1-3-12-7(10)5-4(2)13-8(11)6(5)9/h4,9H,3H2,1-2H3/t4-/m1/s1
InChIKeyZNJJEQUGRYEIBM-SCSAIBSYSA-N
MW186.16 g/mol
LogP0.31
Rot. Bonds2

About ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate

ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate (PubChem CID 67725169) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate
PubChem CID67725169
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Nameethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)O[C@@H]1C
InChIInChI=1S/C8H10O5/c1-3-12-7(10)5-4(2)13-8(11)6(5)9/h4,9H,3H2,1-2H3/t4-/m1/s1
InChIKeyZNJJEQUGRYEIBM-SCSAIBSYSA-N
XLogP0.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The IUPAC name of ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate (CID 67725169) is ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate.
What is the SMILES notation for ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The canonical SMILES for ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate is CCOC(=O)C1=C(O)C(=O)O[C@@H]1C.
What is the InChIKey of ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The InChIKey is ZNJJEQUGRYEIBM-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10O5/c1-3-12-7(10)5-4(2)13-8(11)6(5)9/h4,9H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate has a molecular weight of 186.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate is sourced from PubChem (CID 67725169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).