ethanol;bis(2-oxopropanoic acid)

C8H14O7 — CID 159682391

IUPACethanol;bis(2-oxopropanoic acid)
SMILESCC(=O)C(=O)O.CC(=O)C(=O)O.CCO
InChIInChI=1S/2C3H4O3.C2H6O/c2*1-2(4)3(5)6;1-2-3/h2*1H3,(H,5,6);3H,2H2,1H3
InChIKeyMVJDGCPPQNITRI-UHFFFAOYSA-N
MW222.19 g/mol
LogP-0.68
Rot. Bonds2

About ethanol;bis(2-oxopropanoic acid)

ethanol;bis(2-oxopropanoic acid) (PubChem CID 159682391) has the molecular formula C8H14O7 and a molecular weight of 222.19 g/mol. Its IUPAC name is ethanol;bis(2-oxopropanoic acid).

Molecular Properties

Compound Nameethanol;bis(2-oxopropanoic acid)
PubChem CID159682391
Molecular FormulaC8H14O7
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Nameethanol;bis(2-oxopropanoic acid)
SMILESCC(=O)C(=O)O.CC(=O)C(=O)O.CCO
InChIInChI=1S/2C3H4O3.C2H6O/c2*1-2(4)3(5)6;1-2-3/h2*1H3,(H,5,6);3H,2H2,1H3
InChIKeyMVJDGCPPQNITRI-UHFFFAOYSA-N
XLogP-0.68
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethanol;bis(2-oxopropanoic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanedioic acid;ethanol;2-oxopropanoic acid
CID 159309447
ethanol;oxalic acid
CID 172820699
manganese(2+);2-oxopropanoic acid
CID 162367990
CID 131870939
CID 131870939
strontium 2-oxopropanoic acid
CID 10154276
iridium;2-oxopropanoic acid
CID 174870791
sodium;2-oxopropanoic acid;chloride
CID 173324944
2-oxopropanoic acid;titanium;zirconium
CID 174908427
azane;carbonic acid;ethanol
CID 173096974
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
ethanol;methanol;2-methylprop-2-enoic acid;titanium
CID 174721587
butane-2,3-dione;carbonic acid
CID 174891727

Frequently Asked Questions

What is the IUPAC name of ethanol;bis(2-oxopropanoic acid)?
The IUPAC name of ethanol;bis(2-oxopropanoic acid) (CID 159682391) is ethanol;bis(2-oxopropanoic acid).
What is the SMILES notation for ethanol;bis(2-oxopropanoic acid)?
The canonical SMILES for ethanol;bis(2-oxopropanoic acid) is CC(=O)C(=O)O.CC(=O)C(=O)O.CCO.
What is the InChIKey of ethanol;bis(2-oxopropanoic acid)?
The InChIKey is MVJDGCPPQNITRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4O3.C2H6O/c2*1-2(4)3(5)6;1-2-3/h2*1H3,(H,5,6);3H,2H2,1H3.
What are the key properties of ethanol;bis(2-oxopropanoic acid)?
ethanol;bis(2-oxopropanoic acid) has a molecular weight of 222.19 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(2-oxopropanoic acid) is sourced from PubChem (CID 159682391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).