acetaldehyde;iodomethane;methanol

C4H11IO2 — CID 22361009

IUPACacetaldehyde;iodomethane;methanol
SMILESCC=O.CI.CO
InChIInChI=1S/C2H4O.CH3I.CH4O/c1-2-3;2*1-2/h2H,1H3;1H3;2H,1H3
InChIKeyURNZJRMDAVPHHI-UHFFFAOYSA-N
MW218.03 g/mol
LogP0.86
Rot. Bonds

About acetaldehyde;iodomethane;methanol

acetaldehyde;iodomethane;methanol (PubChem CID 22361009) has the molecular formula C4H11IO2 and a molecular weight of 218.03 g/mol. Its IUPAC name is acetaldehyde;iodomethane;methanol.

Molecular Properties

Compound Nameacetaldehyde;iodomethane;methanol
PubChem CID22361009
Molecular FormulaC4H11IO2
Molecular Weight218.03 g/mol
Exact Mass217.98
IUPAC Nameacetaldehyde;iodomethane;methanol
SMILESCC=O.CI.CO
InChIInChI=1S/C2H4O.CH3I.CH4O/c1-2-3;2*1-2/h2H,1H3;1H3;2H,1H3
InChIKeyURNZJRMDAVPHHI-UHFFFAOYSA-N
XLogP0.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.03
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;iodomethane;methanol?
The IUPAC name of acetaldehyde;iodomethane;methanol (CID 22361009) is acetaldehyde;iodomethane;methanol.
What is the SMILES notation for acetaldehyde;iodomethane;methanol?
The canonical SMILES for acetaldehyde;iodomethane;methanol is CC=O.CI.CO.
What is the InChIKey of acetaldehyde;iodomethane;methanol?
The InChIKey is URNZJRMDAVPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.CH3I.CH4O/c1-2-3;2*1-2/h2H,1H3;1H3;2H,1H3.
What are the key properties of acetaldehyde;iodomethane;methanol?
acetaldehyde;iodomethane;methanol has a molecular weight of 218.03 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;iodomethane;methanol is sourced from PubChem (CID 22361009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).