3-methoxy-2-(methoxymethyl)-2-methylpropanal

C7H14O3 — CID 89202050

IUPAC3-methoxy-2-(methoxymethyl)-2-methylpropanal
SMILESCOCC(C)(C=O)COC
InChIInChI=1S/C7H14O3/c1-7(4-8,5-9-2)6-10-3/h4H,5-6H2,1-3H3
InChIKeySQCRGROOQASKLX-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.48
Rot. Bonds5

About 3-methoxy-2-(methoxymethyl)-2-methylpropanal

3-methoxy-2-(methoxymethyl)-2-methylpropanal (PubChem CID 89202050) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethyl)-2-methylpropanal.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethyl)-2-methylpropanal
PubChem CID89202050
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-methoxy-2-(methoxymethyl)-2-methylpropanal
SMILESCOCC(C)(C=O)COC
InChIInChI=1S/C7H14O3/c1-7(4-8,5-9-2)6-10-3/h4H,5-6H2,1-3H3
InChIKeySQCRGROOQASKLX-UHFFFAOYSA-N
XLogP0.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal
CID 169150505
1-methoxy-2,2-dimethylpropane
CID 160639316
2-methyl-2-propylpentanal
CID 12587446
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709
magnesium;1-methoxy-2,2-dimethylpropane;dichloride
CID 175512317
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
CID 59070037
CID 59070037
3-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-3-(2-oxoethyl)pentanedial
CID 90296487
ethane;2-fluoro-1-methoxy-2-methylpropane
CID 176980153
lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
CID 14789976
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal
CID 62276222
2-ethoxy-1-methoxypropan-2-ol
CID 148549797

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethyl)-2-methylpropanal?
The IUPAC name of 3-methoxy-2-(methoxymethyl)-2-methylpropanal (CID 89202050) is 3-methoxy-2-(methoxymethyl)-2-methylpropanal.
What is the SMILES notation for 3-methoxy-2-(methoxymethyl)-2-methylpropanal?
The canonical SMILES for 3-methoxy-2-(methoxymethyl)-2-methylpropanal is COCC(C)(C=O)COC.
What is the InChIKey of 3-methoxy-2-(methoxymethyl)-2-methylpropanal?
The InChIKey is SQCRGROOQASKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(4-8,5-9-2)6-10-3/h4H,5-6H2,1-3H3.
What are the key properties of 3-methoxy-2-(methoxymethyl)-2-methylpropanal?
3-methoxy-2-(methoxymethyl)-2-methylpropanal has a molecular weight of 146.19 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethyl)-2-methylpropanal is sourced from PubChem (CID 89202050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).