3-(methoxymethylidene)pentane-2,4-dione

C7H10O3 — CID 5323718

IUPAC3-(methoxymethylidene)pentane-2,4-dione
SMILESCOC=C(C(C)=O)C(C)=O
InChIInChI=1S/C7H10O3/c1-5(8)7(4-10-3)6(2)9/h4H,1-3H3
InChIKeyJVJUIMLDVRHIOS-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds3

About 3-(methoxymethylidene)pentane-2,4-dione

3-(methoxymethylidene)pentane-2,4-dione (PubChem CID 5323718) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-(methoxymethylidene)pentane-2,4-dione.

Molecular Properties

Compound Name3-(methoxymethylidene)pentane-2,4-dione
PubChem CID5323718
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-(methoxymethylidene)pentane-2,4-dione
SMILESCOC=C(C(C)=O)C(C)=O
InChIInChI=1S/C7H10O3/c1-5(8)7(4-10-3)6(2)9/h4H,1-3H3
InChIKeyJVJUIMLDVRHIOS-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 3-(methoxymethylidene)pentane-2,4-dione 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

3-(Ethoxymethylene)pentane-2,4-dione
CID 240418
2,4-Pentanedione, 3-(ethoxymethylene)-1,1,1-trifluoro-
CID 4460492
3-(Ethoxymethylene)1,1,1-trifluropentan-2,4-dione
CID 6115942
(2E)-2-acetyl-3-hydroxybut-2-enal
CID 3271369
(1E)-1-Methoxy-2-methyl-1-penten-3-one
CID 12532648
Diacetylethylene
CID 13528360
1,1,1-Trifluoro-3-(methoxymethylidene)pentane-2,4-dione
CID 139650141
3,5-Dimethyl-4H-pyran-4-one
CID 579951
(2E)-2-(ethoxymethylidene)-3-oxobutanal
CID 12792808
1,1,1,5,5,5-Hexafluoro-3-(methoxymethylidene)pentane-2,4-dione
CID 102163386
(3E)-3-(methoxymethylidene)pentan-2-one
CID 11434958
(E)-4-methoxy-3-methylbut-3-en-2-one
CID 11804716

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)pentane-2,4-dione?
The IUPAC name of 3-(methoxymethylidene)pentane-2,4-dione (CID 5323718) is 3-(methoxymethylidene)pentane-2,4-dione.
What is the SMILES notation for 3-(methoxymethylidene)pentane-2,4-dione?
The canonical SMILES for 3-(methoxymethylidene)pentane-2,4-dione is COC=C(C(C)=O)C(C)=O.
What is the InChIKey of 3-(methoxymethylidene)pentane-2,4-dione?
The InChIKey is JVJUIMLDVRHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(8)7(4-10-3)6(2)9/h4H,1-3H3.
What are the key properties of 3-(methoxymethylidene)pentane-2,4-dione?
3-(methoxymethylidene)pentane-2,4-dione has a molecular weight of 142.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)pentane-2,4-dione is sourced from PubChem (CID 5323718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).