acetaldehyde;methanol

C3H8O2 — CID 19366238

IUPACacetaldehyde;methanol
SMILESCC=O.CO
InChIInChI=1S/C2H4O.CH4O/c1-2-3;1-2/h2H,1H3;2H,1H3
InChIKeyWFECKZNWXDGJRC-UHFFFAOYSA-N
MW76.09 g/mol
LogP-0.19
Rot. Bonds

About acetaldehyde;methanol

acetaldehyde;methanol (PubChem CID 19366238) has the molecular formula C3H8O2 and a molecular weight of 76.09 g/mol. Its IUPAC name is acetaldehyde;methanol.

Molecular Properties

Compound Nameacetaldehyde;methanol
PubChem CID19366238
Molecular FormulaC3H8O2
Molecular Weight76.09 g/mol
Exact Mass76.05
IUPAC Nameacetaldehyde;methanol
SMILESCC=O.CO
InChIInChI=1S/C2H4O.CH4O/c1-2-3;1-2/h2H,1H3;2H,1H3
InChIKeyWFECKZNWXDGJRC-UHFFFAOYSA-N
XLogP-0.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;methanol?
The IUPAC name of acetaldehyde;methanol (CID 19366238) is acetaldehyde;methanol.
What is the SMILES notation for acetaldehyde;methanol?
The canonical SMILES for acetaldehyde;methanol is CC=O.CO.
What is the InChIKey of acetaldehyde;methanol?
The InChIKey is WFECKZNWXDGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.CH4O/c1-2-3;1-2/h2H,1H3;2H,1H3.
What are the key properties of acetaldehyde;methanol?
acetaldehyde;methanol has a molecular weight of 76.09 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;methanol is sourced from PubChem (CID 19366238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).