acetaldehyde;acetic acid;ethanol;ethyl acetate

C10H22O6 — CID 159882398

IUPACacetaldehyde;acetic acid;ethanol;ethyl acetate
SMILESCC(=O)O.CC=O.CCO.CCOC(C)=O
InChIInChI=1S/C4H8O2.C2H4O2.C2H6O.C2H4O/c1-3-6-4(2)5;1-2(3)4;2*1-2-3/h3H2,1-2H3;1H3,(H,3,4);3H,2H2,1H3;2H,1H3
InChIKeyHGEMMCDYYKUPEW-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.86
Rot. Bonds1

About acetaldehyde;acetic acid;ethanol;ethyl acetate

acetaldehyde;acetic acid;ethanol;ethyl acetate (PubChem CID 159882398) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is acetaldehyde;acetic acid;ethanol;ethyl acetate.

Molecular Properties

Compound Nameacetaldehyde;acetic acid;ethanol;ethyl acetate
PubChem CID159882398
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Nameacetaldehyde;acetic acid;ethanol;ethyl acetate
SMILESCC(=O)O.CC=O.CCO.CCOC(C)=O
InChIInChI=1S/C4H8O2.C2H4O2.C2H6O.C2H4O/c1-3-6-4(2)5;1-2(3)4;2*1-2-3/h3H2,1-2H3;1H3,(H,3,4);3H,2H2,1H3;2H,1H3
InChIKeyHGEMMCDYYKUPEW-UHFFFAOYSA-N
XLogP0.86
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;acetic acid;ethanol;ethyl acetate?
The IUPAC name of acetaldehyde;acetic acid;ethanol;ethyl acetate (CID 159882398) is acetaldehyde;acetic acid;ethanol;ethyl acetate.
What is the SMILES notation for acetaldehyde;acetic acid;ethanol;ethyl acetate?
The canonical SMILES for acetaldehyde;acetic acid;ethanol;ethyl acetate is CC(=O)O.CC=O.CCO.CCOC(C)=O.
What is the InChIKey of acetaldehyde;acetic acid;ethanol;ethyl acetate?
The InChIKey is HGEMMCDYYKUPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4O2.C2H6O.C2H4O/c1-3-6-4(2)5;1-2(3)4;2*1-2-3/h3H2,1-2H3;1H3,(H,3,4);3H,2H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;acetic acid;ethanol;ethyl acetate?
acetaldehyde;acetic acid;ethanol;ethyl acetate has a molecular weight of 238.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;acetic acid;ethanol;ethyl acetate is sourced from PubChem (CID 159882398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).