acetaldehyde;formic acid;methane

C6H16O5 — CID 175120865

IUPACacetaldehyde;formic acid;methane
SMILESC.C.CC=O.O=CO.O=CO
InChIInChI=1S/C2H4O.2CH2O2.2CH4/c1-2-3;2*2-1-3;;/h2H,1H3;2*1H,(H,2,3);2*1H4
InChIKeyHNUDSXGHSNLXSA-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.88
Rot. Bonds

About acetaldehyde;formic acid;methane

acetaldehyde;formic acid;methane (PubChem CID 175120865) has the molecular formula C6H16O5 and a molecular weight of 168.19 g/mol. Its IUPAC name is acetaldehyde;formic acid;methane.

Molecular Properties

Compound Nameacetaldehyde;formic acid;methane
PubChem CID175120865
Molecular FormulaC6H16O5
Molecular Weight168.19 g/mol
Exact Mass168.10
IUPAC Nameacetaldehyde;formic acid;methane
SMILESC.C.CC=O.O=CO.O=CO
InChIInChI=1S/C2H4O.2CH2O2.2CH4/c1-2-3;2*2-1-3;;/h2H,1H3;2*1H,(H,2,3);2*1H4
InChIKeyHNUDSXGHSNLXSA-UHFFFAOYSA-N
XLogP0.88
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.88
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 174325253
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CID 19366238
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CID 159605506
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CID 11672690
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CID 158130567
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CID 172740588
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CID 159068439
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CID 161039463
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CID 173072725

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;formic acid;methane?
The IUPAC name of acetaldehyde;formic acid;methane (CID 175120865) is acetaldehyde;formic acid;methane.
What is the SMILES notation for acetaldehyde;formic acid;methane?
The canonical SMILES for acetaldehyde;formic acid;methane is C.C.CC=O.O=CO.O=CO.
What is the InChIKey of acetaldehyde;formic acid;methane?
The InChIKey is HNUDSXGHSNLXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.2CH2O2.2CH4/c1-2-3;2*2-1-3;;/h2H,1H3;2*1H,(H,2,3);2*1H4.
What are the key properties of acetaldehyde;formic acid;methane?
acetaldehyde;formic acid;methane has a molecular weight of 168.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;formic acid;methane is sourced from PubChem (CID 175120865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).