acetaldehyde;formic acid;methanol

C4H10O4 — CID 160616395

IUPACacetaldehyde;formic acid;methanol
SMILESCC=O.CO.O=CO
InChIInChI=1S/C2H4O.CH2O2.CH4O/c1-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);2H,1H3
InChIKeyRGDMHVNTHWBIQJ-UHFFFAOYSA-N
MW122.12 g/mol
LogP-0.49
Rot. Bonds

About acetaldehyde;formic acid;methanol

acetaldehyde;formic acid;methanol (PubChem CID 160616395) has the molecular formula C4H10O4 and a molecular weight of 122.12 g/mol. Its IUPAC name is acetaldehyde;formic acid;methanol.

Molecular Properties

Compound Nameacetaldehyde;formic acid;methanol
PubChem CID160616395
Molecular FormulaC4H10O4
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Nameacetaldehyde;formic acid;methanol
SMILESCC=O.CO.O=CO
InChIInChI=1S/C2H4O.CH2O2.CH4O/c1-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);2H,1H3
InChIKeyRGDMHVNTHWBIQJ-UHFFFAOYSA-N
XLogP-0.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 158638397

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;formic acid;methanol?
The IUPAC name of acetaldehyde;formic acid;methanol (CID 160616395) is acetaldehyde;formic acid;methanol.
What is the SMILES notation for acetaldehyde;formic acid;methanol?
The canonical SMILES for acetaldehyde;formic acid;methanol is CC=O.CO.O=CO.
What is the InChIKey of acetaldehyde;formic acid;methanol?
The InChIKey is RGDMHVNTHWBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.CH2O2.CH4O/c1-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);2H,1H3.
What are the key properties of acetaldehyde;formic acid;methanol?
acetaldehyde;formic acid;methanol has a molecular weight of 122.12 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;formic acid;methanol is sourced from PubChem (CID 160616395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).