acetaldehyde;1-methoxybutan-2-one

C7H14O3 — CID 144521469

IUPACacetaldehyde;1-methoxybutan-2-one
SMILESCC=O.CCC(=O)COC
InChIInChI=1S/C5H10O2.C2H4O/c1-3-5(6)4-7-2;1-2-3/h3-4H2,1-2H3;2H,1H3
InChIKeyGHDLQUNZAVYMMY-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.82
Rot. Bonds3

About acetaldehyde;1-methoxybutan-2-one

acetaldehyde;1-methoxybutan-2-one (PubChem CID 144521469) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is acetaldehyde;1-methoxybutan-2-one.

Molecular Properties

Compound Nameacetaldehyde;1-methoxybutan-2-one
PubChem CID144521469
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameacetaldehyde;1-methoxybutan-2-one
SMILESCC=O.CCC(=O)COC
InChIInChI=1S/C5H10O2.C2H4O/c1-3-5(6)4-7-2;1-2-3/h3-4H2,1-2H3;2H,1H3
InChIKeyGHDLQUNZAVYMMY-UHFFFAOYSA-N
XLogP0.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetaldehyde;1-methoxybutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxyheptane-2,5-dione
CID 12648673
1,2-dimethoxyethane;pentan-3-one
CID 87877054
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
4-(ethylamino)-1-methoxybutan-2-one
CID 116565746
1-fluoro-3-methoxypropan-2-one
CID 163646896
3-oxopentyl 2-methoxyacetate
CID 59946471
1-(hydroxymethoxy)butan-2-one
CID 57142779
1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one
CID 59695630
1-methoxydecan-2-one
CID 10352423
1-methoxy-4-methylhexan-2-one
CID 62619896
1-methoxy-4-methylpentan-2-one
CID 13108539
2-methoxyacetic acid;oxaldehydic acid
CID 159112040

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-methoxybutan-2-one?
The IUPAC name of acetaldehyde;1-methoxybutan-2-one (CID 144521469) is acetaldehyde;1-methoxybutan-2-one.
What is the SMILES notation for acetaldehyde;1-methoxybutan-2-one?
The canonical SMILES for acetaldehyde;1-methoxybutan-2-one is CC=O.CCC(=O)COC.
What is the InChIKey of acetaldehyde;1-methoxybutan-2-one?
The InChIKey is GHDLQUNZAVYMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H4O/c1-3-5(6)4-7-2;1-2-3/h3-4H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-methoxybutan-2-one?
acetaldehyde;1-methoxybutan-2-one has a molecular weight of 146.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-methoxybutan-2-one is sourced from PubChem (CID 144521469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).