methyl 2-hydroxy-2H-pyran-6-carboxylate

C7H8O4 — CID 174562312

IUPACmethyl 2-hydroxy-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC=CC(O)O1
InChIInChI=1S/C7H8O4/c1-10-7(9)5-3-2-4-6(8)11-5/h2-4,6,8H,1H3
InChIKeyQTWJHQVPCSEHPB-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.05
Rot. Bonds1

About methyl 2-hydroxy-2H-pyran-6-carboxylate

methyl 2-hydroxy-2H-pyran-6-carboxylate (PubChem CID 174562312) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is methyl 2-hydroxy-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2H-pyran-6-carboxylate
PubChem CID174562312
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Namemethyl 2-hydroxy-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC=CC(O)O1
InChIInChI=1S/C7H8O4/c1-10-7(9)5-3-2-4-6(8)11-5/h2-4,6,8H,1H3
InChIKeyQTWJHQVPCSEHPB-UHFFFAOYSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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dimethyl 3,6-dimethoxycyclohexa-1,4-diene-1,2-dicarboxylate
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dimethyl 2-hydroxy-7-methylcyclohepta-1,3,5-triene-1,3-dicarboxylate
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methyl 5-propan-2-ylcyclohexa-1,3-diene-1-carboxylate
CID 123847160
dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate
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methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102492997
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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2H-pyran-6-carboxylate?
The IUPAC name of methyl 2-hydroxy-2H-pyran-6-carboxylate (CID 174562312) is methyl 2-hydroxy-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 2-hydroxy-2H-pyran-6-carboxylate is COC(=O)C1=CC=CC(O)O1.
What is the InChIKey of methyl 2-hydroxy-2H-pyran-6-carboxylate?
The InChIKey is QTWJHQVPCSEHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-10-7(9)5-3-2-4-6(8)11-5/h2-4,6,8H,1H3.
What are the key properties of methyl 2-hydroxy-2H-pyran-6-carboxylate?
methyl 2-hydroxy-2H-pyran-6-carboxylate has a molecular weight of 156.14 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2H-pyran-6-carboxylate is sourced from PubChem (CID 174562312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).