2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate

C11H16O6 — CID 173020025

IUPAC2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=CO.C=CC(=O)OCCO
InChIInChI=1S/C6H8O3.C5H8O3/c1-2-6(8)9-5-3-4-7;1-2-5(7)8-4-3-6/h2-4,7H,1,5H2;2,6H,1,3-4H2
InChIKeyKHJUZFOOVVGCIF-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.50
Rot. Bonds6

About 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate

2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate (PubChem CID 173020025) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
PubChem CID173020025
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=CO.C=CC(=O)OCCO
InChIInChI=1S/C6H8O3.C5H8O3/c1-2-6(8)9-5-3-4-7;1-2-5(7)8-4-3-6/h2-4,7H,1,5H2;2,6H,1,3-4H2
InChIKeyKHJUZFOOVVGCIF-UHFFFAOYSA-N
XLogP0.50
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
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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Related Compounds

3-hydroxyprop-2-enyl prop-2-enoate;methane
CID 173438743
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-hydroxyethyl prop-2-enoate sulfate
CID 20566072
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
CID 87740530
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate (CID 173020025) is 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate is C=CC(=O)OCC=CO.C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate?
The InChIKey is KHJUZFOOVVGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.C5H8O3/c1-2-6(8)9-5-3-4-7;1-2-5(7)8-4-3-6/h2-4,7H,1,5H2;2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate?
2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate has a molecular weight of 244.24 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate is sourced from PubChem (CID 173020025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).