acetaldehyde;formaldehyde

C7H14O4 — CID 162213164

IUPACacetaldehyde;formaldehyde
SMILESC=O.CC=O.CC=O.CC=O
InChIInChI=1S/3C2H4O.CH2O/c3*1-2-3;1-2/h3*2H,1H3;1H2
InChIKeyZTCWJPVWPNBPRW-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.43
Rot. Bonds

About acetaldehyde;formaldehyde

acetaldehyde;formaldehyde (PubChem CID 162213164) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is acetaldehyde;formaldehyde.

Molecular Properties

Compound Nameacetaldehyde;formaldehyde
PubChem CID162213164
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Nameacetaldehyde;formaldehyde
SMILESC=O.CC=O.CC=O.CC=O
InChIInChI=1S/3C2H4O.CH2O/c3*1-2-3;1-2/h3*2H,1H3;1H2
InChIKeyZTCWJPVWPNBPRW-UHFFFAOYSA-N
XLogP0.43
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde
CID 158130567
acetaldehyde;formaldehyde;2-methylpropane
CID 157456500
acetaldehyde;formaldehyde;formic acid
CID 159516421
acetaldehyde;prop-1-ene
CID 157049777
acetaldehyde;gold
CID 173056569
acetaldehyde;azane
CID 158638397
acetaldehyde;stibane
CID 173001465
acetaldehyde;germane
CID 173117793
acetaldehyde;bismuthane
CID 173068240
acetaldehyde;manganese
CID 172998417
acetaldehyde;buta-1,3-diene
CID 157419668
acetaldehyde;ethane;methane
CID 159605506

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;formaldehyde?
The IUPAC name of acetaldehyde;formaldehyde (CID 162213164) is acetaldehyde;formaldehyde.
What is the SMILES notation for acetaldehyde;formaldehyde?
The canonical SMILES for acetaldehyde;formaldehyde is C=O.CC=O.CC=O.CC=O.
What is the InChIKey of acetaldehyde;formaldehyde?
The InChIKey is ZTCWJPVWPNBPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O.CH2O/c3*1-2-3;1-2/h3*2H,1H3;1H2.
What are the key properties of acetaldehyde;formaldehyde?
acetaldehyde;formaldehyde has a molecular weight of 162.19 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;formaldehyde is sourced from PubChem (CID 162213164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).