acetaldehyde;carbon dioxide;formic acid;methane

C6H14O5 — CID 162220737

IUPACacetaldehyde;carbon dioxide;formic acid;methane
SMILESC.C.CC=O.O=C=O.O=CO
InChIInChI=1S/C2H4O.CH2O2.CO2.2CH4/c1-2-3;2*2-1-3;;/h2H,1H3;1H,(H,2,3);;2*1H4
InChIKeyZUBWLZIJKYQXMI-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.59
Rot. Bonds

About acetaldehyde;carbon dioxide;formic acid;methane

acetaldehyde;carbon dioxide;formic acid;methane (PubChem CID 162220737) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is acetaldehyde;carbon dioxide;formic acid;methane.

Molecular Properties

Compound Nameacetaldehyde;carbon dioxide;formic acid;methane
PubChem CID162220737
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Nameacetaldehyde;carbon dioxide;formic acid;methane
SMILESC.C.CC=O.O=C=O.O=CO
InChIInChI=1S/C2H4O.CH2O2.CO2.2CH4/c1-2-3;2*2-1-3;;/h2H,1H3;1H,(H,2,3);;2*1H4
InChIKeyZUBWLZIJKYQXMI-UHFFFAOYSA-N
XLogP0.59
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;formic acid;methane
CID 175120865
acetaldehyde;formic acid;methanol
CID 160616395
bis(carbon dioxide);dioxosilane;formic acid;methane
CID 159083554
acetaldehyde;formaldehyde;formic acid
CID 159516421
formic acid;methane
CID 174325253
acetaldehyde;carbon dioxide;prop-1-ene
CID 88717372
acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate
CID 161327837
acetaldehyde;methanol
CID 19366238
acetaldehyde;ethane;methane
CID 159605506
hydroxyformaldehyde
CID 11672690
acetaldehyde
CID 158130567
acetaldehyde;methane;propan-2-one
CID 159068439

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;carbon dioxide;formic acid;methane?
The IUPAC name of acetaldehyde;carbon dioxide;formic acid;methane (CID 162220737) is acetaldehyde;carbon dioxide;formic acid;methane.
What is the SMILES notation for acetaldehyde;carbon dioxide;formic acid;methane?
The canonical SMILES for acetaldehyde;carbon dioxide;formic acid;methane is C.C.CC=O.O=C=O.O=CO.
What is the InChIKey of acetaldehyde;carbon dioxide;formic acid;methane?
The InChIKey is ZUBWLZIJKYQXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.CH2O2.CO2.2CH4/c1-2-3;2*2-1-3;;/h2H,1H3;1H,(H,2,3);;2*1H4.
What are the key properties of acetaldehyde;carbon dioxide;formic acid;methane?
acetaldehyde;carbon dioxide;formic acid;methane has a molecular weight of 166.17 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;carbon dioxide;formic acid;methane is sourced from PubChem (CID 162220737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).