2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate

C10H10O6 — CID 44570637

IUPAC2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1cc(=O)c(O)co1)OCCO
InChIInChI=1S/C10H10O6/c11-3-4-15-10(14)2-1-7-5-8(12)9(13)6-16-7/h1-2,5-6,11,13H,3-4H2/b2-1+
InChIKeyVUHIJPMABQYQGR-OWOJBTEDSA-N
MW226.18 g/mol
LogP-0.11
Rot. Bonds4

About 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate

2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate (PubChem CID 44570637) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate
PubChem CID44570637
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1cc(=O)c(O)co1)OCCO
InChIInChI=1S/C10H10O6/c11-3-4-15-10(14)2-1-7-5-8(12)9(13)6-16-7/h1-2,5-6,11,13H,3-4H2/b2-1+
InChIKeyVUHIJPMABQYQGR-OWOJBTEDSA-N
XLogP-0.11
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
The IUPAC name of 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate (CID 44570637) is 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate is O=C(/C=C/c1cc(=O)c(O)co1)OCCO.
What is the InChIKey of 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
The InChIKey is VUHIJPMABQYQGR-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H10O6/c11-3-4-15-10(14)2-1-7-5-8(12)9(13)6-16-7/h1-2,5-6,11,13H,3-4H2/b2-1+.
What are the key properties of 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate has a molecular weight of 226.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate is sourced from PubChem (CID 44570637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).