acetaldehyde;acetic acid;methane

C8H24O3 — CID 158482570

IUPACacetaldehyde;acetic acid;methane
SMILESC.C.C.C.CC(=O)O.CC=O
InChIInChI=1S/C2H4O2.C2H4O.4CH4/c1-2(3)4;1-2-3;;;;/h1H3,(H,3,4);2H,1H3;4*1H4
InChIKeyCJIXYTDSDUXGOJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.84
Rot. Bonds

About acetaldehyde;acetic acid;methane

acetaldehyde;acetic acid;methane (PubChem CID 158482570) has the molecular formula C8H24O3 and a molecular weight of 168.28 g/mol. Its IUPAC name is acetaldehyde;acetic acid;methane.

Molecular Properties

Compound Nameacetaldehyde;acetic acid;methane
PubChem CID158482570
Molecular FormulaC8H24O3
Molecular Weight168.28 g/mol
Exact Mass168.17
IUPAC Nameacetaldehyde;acetic acid;methane
SMILESC.C.C.C.CC(=O)O.CC=O
InChIInChI=1S/C2H4O2.C2H4O.4CH4/c1-2(3)4;1-2-3;;;;/h1H3,(H,3,4);2H,1H3;4*1H4
InChIKeyCJIXYTDSDUXGOJ-UHFFFAOYSA-N
XLogP2.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.84
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;acetic acid;methane?
The IUPAC name of acetaldehyde;acetic acid;methane (CID 158482570) is acetaldehyde;acetic acid;methane.
What is the SMILES notation for acetaldehyde;acetic acid;methane?
The canonical SMILES for acetaldehyde;acetic acid;methane is C.C.C.C.CC(=O)O.CC=O.
What is the InChIKey of acetaldehyde;acetic acid;methane?
The InChIKey is CJIXYTDSDUXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H4O.4CH4/c1-2(3)4;1-2-3;;;;/h1H3,(H,3,4);2H,1H3;4*1H4.
What are the key properties of acetaldehyde;acetic acid;methane?
acetaldehyde;acetic acid;methane has a molecular weight of 168.28 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;acetic acid;methane is sourced from PubChem (CID 158482570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).