(Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid

C9H8O6 — CID 54738265

IUPAC(Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\O)C(=O)O)oc(=O)c1
InChIInChI=1S/C9H8O6/c1-14-5-2-6(15-8(11)4-5)3-7(10)9(12)13/h2-4,10H,1H3,(H,12,13)/b7-3-
InChIKeyYESOMUFWLWFNHM-CLTKARDFSA-N
MW212.16 g/mol
LogP0.63
Rot. Bonds3

About (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid

(Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid (PubChem CID 54738265) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid
PubChem CID54738265
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Name(Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\O)C(=O)O)oc(=O)c1
InChIInChI=1S/C9H8O6/c1-14-5-2-6(15-8(11)4-5)3-7(10)9(12)13/h2-4,10H,1H3,(H,12,13)/b7-3-
InChIKeyYESOMUFWLWFNHM-CLTKARDFSA-N
XLogP0.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Oxo-2H-pyran-6-carboxylic acid
CID 192724
Opuntiol
CID 10034839
3-hydroxy-2-oxo-2H-pyran-6-carboxylic acid
CID 54744025
diethyl (2Z,4Z)-2,5-dihydroxyhexa-2,4-dienedioate
CID 54681595
3-hydroxy-6-methyl-2(2H)-pyranone
CID 6428992
2-Propenoic acid, 3-(4-methoxy-6-oxo-6H-pyran-2-yl)-, ethyl ester
CID 54679369
diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate
CID 54733811
butyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate
CID 54738074
pentyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate
CID 54738075
methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
CID 101032163
2H-Pyran-2-one, 4-ethoxy-6-(hydroxymethyl)-
CID 11041131
methyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54703202

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid (CID 54738265) is (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid is COc1cc(/C=C(\O)C(=O)O)oc(=O)c1.
What is the InChIKey of (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid?
The InChIKey is YESOMUFWLWFNHM-CLTKARDFSA-N. The full InChI is InChI=1S/C9H8O6/c1-14-5-2-6(15-8(11)4-5)3-7(10)9(12)13/h2-4,10H,1H3,(H,12,13)/b7-3-.
What are the key properties of (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid?
(Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid has a molecular weight of 212.16 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 54738265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).