4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid

C8H14O5 — CID 23550695

IUPAC4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCOC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C8H14O5/c1-5(7(9)10)6(2)8(11)13-4-12-3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyVZWHIMTXJPWYTI-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.49
Rot. Bonds5

About 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid

4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 23550695) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid
PubChem CID23550695
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCOC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C8H14O5/c1-5(7(9)10)6(2)8(11)13-4-12-3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyVZWHIMTXJPWYTI-UHFFFAOYSA-N
XLogP0.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
4-(3-carboxy-2-methylbutanoyl)oxy-2,3-dimethyl-4-oxobutanoic acid
CID 88750735
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
2,3-dimethyl-4-oxo-4-pentoxybutanoic acid
CID 23514768
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-enoic acid
CID 102458905
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
6-ethoxy-3-ethoxycarbonyl-2,5-dimethyl-6-oxohexanoic acid
CID 59867004
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
(2R)-4-methoxy-3-methoxycarbonyl-2-methyl-4-oxobutanoic acid
CID 134916986

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid (CID 23550695) is 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid is COCOC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is VZWHIMTXJPWYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-5(7(9)10)6(2)8(11)13-4-12-3/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid?
4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 190.19 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 23550695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).