methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate

C8H10O5 — CID 14602617

IUPACmethyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(=O)C(O)C(C)O1
InChIInChI=1S/C8H10O5/c1-4-7(10)5(9)3-6(13-4)8(11)12-2/h3-4,7,10H,1-2H3
InChIKeyOOGAKDAWIJLIRN-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.61
Rot. Bonds1

About methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate

methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate (PubChem CID 14602617) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate
PubChem CID14602617
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namemethyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(=O)C(O)C(C)O1
InChIInChI=1S/C8H10O5/c1-4-7(10)5(9)3-6(13-4)8(11)12-2/h3-4,7,10H,1-2H3
InChIKeyOOGAKDAWIJLIRN-UHFFFAOYSA-N
XLogP-0.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate?
The IUPAC name of methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate (CID 14602617) is methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate is COC(=O)C1=CC(=O)C(O)C(C)O1.
What is the InChIKey of methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate?
The InChIKey is OOGAKDAWIJLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-4-7(10)5(9)3-6(13-4)8(11)12-2/h3-4,7,10H,1-2H3.
What are the key properties of methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate?
methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate has a molecular weight of 186.16 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-6-carboxylate is sourced from PubChem (CID 14602617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).