ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate

C11H12O6 — CID 54679369

IUPACethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(O)=C/c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H12O6/c1-3-16-11(14)9(12)5-8-4-7(15-2)6-10(13)17-8/h4-6,12H,3H2,1-2H3/b9-5-
InChIKeyUNWIJHNOFQKXPG-UITAMQMPSA-N
MW240.21 g/mol
LogP1.11
Rot. Bonds4

About ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate

ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate (PubChem CID 54679369) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate
PubChem CID54679369
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Nameethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(O)=C/c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H12O6/c1-3-16-11(14)9(12)5-8-4-7(15-2)6-10(13)17-8/h4-6,12H,3H2,1-2H3/b9-5-
InChIKeyUNWIJHNOFQKXPG-UITAMQMPSA-N
XLogP1.11
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate (CID 54679369) is ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate is CCOC(=O)/C(O)=C/c1cc(OC)cc(=O)o1.
What is the InChIKey of ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate?
The InChIKey is UNWIJHNOFQKXPG-UITAMQMPSA-N. The full InChI is InChI=1S/C11H12O6/c1-3-16-11(14)9(12)5-8-4-7(15-2)6-10(13)17-8/h4-6,12H,3H2,1-2H3/b9-5-.
What are the key properties of ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate?
ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate has a molecular weight of 240.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-hydroxy-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enoate is sourced from PubChem (CID 54679369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).