2,3-dimethoxy-2-methylbutanal

C7H14O3 — CID 126997192

IUPAC2,3-dimethoxy-2-methylbutanal
SMILESCOC(C)C(C)(C=O)OC
InChIInChI=1S/C7H14O3/c1-6(9-3)7(2,5-8)10-4/h5-6H,1-4H3
InChIKeyMZZFLWREOGTURL-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.63
Rot. Bonds4

About 2,3-dimethoxy-2-methylbutanal

2,3-dimethoxy-2-methylbutanal (PubChem CID 126997192) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3-dimethoxy-2-methylbutanal.

Molecular Properties

Compound Name2,3-dimethoxy-2-methylbutanal
PubChem CID126997192
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2,3-dimethoxy-2-methylbutanal
SMILESCOC(C)C(C)(C=O)OC
InChIInChI=1S/C7H14O3/c1-6(9-3)7(2,5-8)10-4/h5-6H,1-4H3
InChIKeyMZZFLWREOGTURL-UHFFFAOYSA-N
XLogP0.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-2-methylbutanal 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

2,3-Dimethoxypropanal
CID 12962854
3,3-Dimethyloxirane-2-carbaldehyde
CID 12872197
3,3-Dimethyl-1,4-dioxane-2-carbaldehyde
CID 146155190
(2S)-3,3-dimethyloxirane-2-carbaldehyde
CID 11446295
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
2,3-Dimethyl-2,3-epoxypropanal
CID 13996773
(2S)-2,3-dimethoxypropanal
CID 12962856
2,3-Dimethoxybutanedial
CID 16036874
2-Hydroxy-3-methoxy-2-methylbutanal
CID 18716412
2-Methoxy-2-methylbutanal
CID 18737045
2-Methoxy-3-propan-2-yloxypropanal
CID 20343126
3-Methoxy-3-methyl-2-oxobutanal
CID 56995925

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-2-methylbutanal?
The IUPAC name of 2,3-dimethoxy-2-methylbutanal (CID 126997192) is 2,3-dimethoxy-2-methylbutanal.
What is the SMILES notation for 2,3-dimethoxy-2-methylbutanal?
The canonical SMILES for 2,3-dimethoxy-2-methylbutanal is COC(C)C(C)(C=O)OC.
What is the InChIKey of 2,3-dimethoxy-2-methylbutanal?
The InChIKey is MZZFLWREOGTURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(9-3)7(2,5-8)10-4/h5-6H,1-4H3.
What are the key properties of 2,3-dimethoxy-2-methylbutanal?
2,3-dimethoxy-2-methylbutanal has a molecular weight of 146.19 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-2-methylbutanal is sourced from PubChem (CID 126997192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).