ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid

C11H20O6 — CID 174768003

IUPACethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCC.CC(O)CO
InChIInChI=1S/C5H8O2.C3H8O2.C3H4O2/c1-3-5(6)7-4-2;1-3(5)2-4;1-2-3(4)5/h3H,1,4H2,2H3;3-5H,2H2,1H3;2H,1H2,(H,4,5)
InChIKeyMNUYNYQOICQSIZ-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.35
Rot. Bonds4

About ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid

ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid (PubChem CID 174768003) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid.

Molecular Properties

Compound Nameethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
PubChem CID174768003
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Nameethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCC.CC(O)CO
InChIInChI=1S/C5H8O2.C3H8O2.C3H4O2/c1-3-5(6)7-4-2;1-3(5)2-4;1-2-3(4)5/h3H,1,4H2,2H3;3-5H,2H2,1H3;2H,1H2,(H,4,5)
InChIKeyMNUYNYQOICQSIZ-UHFFFAOYSA-N
XLogP0.35
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid?
The IUPAC name of ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid (CID 174768003) is ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid.
What is the SMILES notation for ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid?
The canonical SMILES for ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid is C=CC(=O)O.C=CC(=O)OCC.CC(O)CO.
What is the InChIKey of ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid?
The InChIKey is MNUYNYQOICQSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H8O2.C3H4O2/c1-3-5(6)7-4-2;1-3(5)2-4;1-2-3(4)5/h3H,1,4H2,2H3;3-5H,2H2,1H3;2H,1H2,(H,4,5).
What are the key properties of ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid?
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid has a molecular weight of 248.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid is sourced from PubChem (CID 174768003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).