ethanol;prop-2-enoic acid

C13H34O7 — CID 159350313

IUPACethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CCO.CCO.CCO.CCO.CCO
InChIInChI=1S/C3H4O2.5C2H6O/c1-2-3(4)5;5*1-2-3/h2H,1H2,(H,4,5);5*3H,2H2,1H3
InChIKeyLHFXLNIZVSHTRJ-UHFFFAOYSA-N
MW302.41 g/mol
LogP0.25
Rot. Bonds1

About ethanol;prop-2-enoic acid

ethanol;prop-2-enoic acid (PubChem CID 159350313) has the molecular formula C13H34O7 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethanol;prop-2-enoic acid.

Molecular Properties

Compound Nameethanol;prop-2-enoic acid
PubChem CID159350313
Molecular FormulaC13H34O7
Molecular Weight302.41 g/mol
Exact Mass302.23
IUPAC Nameethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CCO.CCO.CCO.CCO.CCO
InChIInChI=1S/C3H4O2.5C2H6O/c1-2-3(4)5;5*1-2-3/h2H,1H2,(H,4,5);5*3H,2H2,1H3
InChIKeyLHFXLNIZVSHTRJ-UHFFFAOYSA-N
XLogP0.25
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 50.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
ethanol;N-ethylethanamine;prop-2-enoic acid
CID 174573072
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
methanol;prop-2-enoic acid
CID 159043362
butan-1-ol;prop-2-enoic acid
CID 18402454
prop-2-enoic acid;silylmethanol
CID 175499184
prop-2-enoic acid;triethylsilane
CID 175005870
N-methylethanamine;prop-2-enoic acid
CID 87363958
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
CID 173373039
CID 173373039
heptadecane;prop-2-enoic acid
CID 158681422

Frequently Asked Questions

What is the IUPAC name of ethanol;prop-2-enoic acid?
The IUPAC name of ethanol;prop-2-enoic acid (CID 159350313) is ethanol;prop-2-enoic acid.
What is the SMILES notation for ethanol;prop-2-enoic acid?
The canonical SMILES for ethanol;prop-2-enoic acid is C=CC(=O)O.CCO.CCO.CCO.CCO.CCO.
What is the InChIKey of ethanol;prop-2-enoic acid?
The InChIKey is LHFXLNIZVSHTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.5C2H6O/c1-2-3(4)5;5*1-2-3/h2H,1H2,(H,4,5);5*3H,2H2,1H3.
What are the key properties of ethanol;prop-2-enoic acid?
ethanol;prop-2-enoic acid has a molecular weight of 302.41 g/mol, XLogP of 0.25, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;prop-2-enoic acid is sourced from PubChem (CID 159350313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).