acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid

C15H28O15 — CID 162192323

IUPACacetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.CC(=O)O.CC(O)C(=O)O.CCO.O=C(O)CCC(=O)O.O=CO
InChIInChI=1S/C4H6O4.C3H6O3.C3H4O3.C2H4O2.C2H6O.CH2O2/c5-3(6)1-2-4(7)8;2*1-2(4)3(5)6;1-2(3)4;1-2-3;2-1-3/h1-2H2,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6);1H3,(H,5,6);1H3,(H,3,4);3H,2H2,1H3;1H,(H,2,3)
InChIKeyZQLWBNFPORCBDO-UHFFFAOYSA-N
MW448.37 g/mol
LogP-1.16
Rot. Bonds5

About acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid

acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid (PubChem CID 162192323) has the molecular formula C15H28O15 and a molecular weight of 448.37 g/mol. Its IUPAC name is acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid.

Molecular Properties

Compound Nameacetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid
PubChem CID162192323
Molecular FormulaC15H28O15
Molecular Weight448.37 g/mol
Exact Mass448.14
IUPAC Nameacetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.CC(=O)O.CC(O)C(=O)O.CCO.O=C(O)CCC(=O)O.O=CO
InChIInChI=1S/C4H6O4.C3H6O3.C3H4O3.C2H4O2.C2H6O.CH2O2/c5-3(6)1-2-4(7)8;2*1-2(4)3(5)6;1-2(3)4;1-2-3;2-1-3/h1-2H2,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6);1H3,(H,5,6);1H3,(H,3,4);3H,2H2,1H3;1H,(H,2,3)
InChIKeyZQLWBNFPORCBDO-UHFFFAOYSA-N
XLogP-1.16
TPSA281.33 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.37
LogP ≤ 5-1.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;ethanol;2-oxopropanoic acid
CID 159309447
acetic acid;azane;butanoic acid;2-hydroxypropanoic acid
CID 172838065
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
butanedioic acid;(Z)-but-2-enedioic acid;2-hydroxypropanoic acid;propanedioic acid
CID 173365167
ethanol;formic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid
CID 160592697
ethanol;bis(2-oxopropanoic acid)
CID 159682391
butanedioic acid;butane-1,1-diol;2-hydroxypropanoic acid
CID 175297548
2-hydroxypropanoic acid;propanoic acid
CID 175004384
ethyl acetate;4-formyloxy-4-oxobutanoic acid;2-hydroxypropanoic acid
CID 87625292
azane;butanedioic acid;ethanol
CID 87975822
acetic acid;formic acid;hydrogen peroxide
CID 172718921
2-hydroxypropanoic acid
CID 87075455

Frequently Asked Questions

What is the IUPAC name of acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid?
The IUPAC name of acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid (CID 162192323) is acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid.
What is the SMILES notation for acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid?
The canonical SMILES for acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid is CC(=O)C(=O)O.CC(=O)O.CC(O)C(=O)O.CCO.O=C(O)CCC(=O)O.O=CO.
What is the InChIKey of acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid?
The InChIKey is ZQLWBNFPORCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C3H6O3.C3H4O3.C2H4O2.C2H6O.CH2O2/c5-3(6)1-2-4(7)8;2*1-2(4)3(5)6;1-2(3)4;1-2-3;2-1-3/h1-2H2,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6);1H3,(H,5,6);1H3,(H,3,4);3H,2H2,1H3;1H,(H,2,3).
What are the key properties of acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid?
acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid has a molecular weight of 448.37 g/mol, XLogP of -1.16, 5 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butanedioic acid;ethanol;formic acid;2-hydroxypropanoic acid;2-oxopropanoic acid is sourced from PubChem (CID 162192323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).