2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid

C13H24O7 — CID 87220292

IUPAC2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid
SMILESCCC(CC)(C(=O)O)C(COC)(CC(=O)O)OCOC
InChIInChI=1S/C13H24O7/c1-5-12(6-2,11(16)17)13(8-18-3,7-10(14)15)20-9-19-4/h5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyFABBJYKLWFBHIO-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.36
Rot. Bonds11

About 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid

2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid (PubChem CID 87220292) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid.

Molecular Properties

Compound Name2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid
PubChem CID87220292
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid
SMILESCCC(CC)(C(=O)O)C(COC)(CC(=O)O)OCOC
InChIInChI=1S/C13H24O7/c1-5-12(6-2,11(16)17)13(8-18-3,7-10(14)15)20-9-19-4/h5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyFABBJYKLWFBHIO-UHFFFAOYSA-N
XLogP1.36
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3-ethylpentane-1,2,3-tricarboxylic acid
CID 18458326
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
CID 173461711
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);propanoic acid
CID 175379209
2-(methoxymethoxy)-2-prop-1-enylbutanedioic acid
CID 161160225
(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid
CID 131850045
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
3-(methoxymethyl)-3-(propylamino)pentanoic acid
CID 65233525
3-ethyl-3-hydroxypentanoic acid
CID 11513768

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid?
The IUPAC name of 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid (CID 87220292) is 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid.
What is the SMILES notation for 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid?
The canonical SMILES for 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid is CCC(CC)(C(=O)O)C(COC)(CC(=O)O)OCOC.
What is the InChIKey of 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid?
The InChIKey is FABBJYKLWFBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O7/c1-5-12(6-2,11(16)17)13(8-18-3,7-10(14)15)20-9-19-4/h5-9H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid?
2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid has a molecular weight of 292.33 g/mol, XLogP of 1.36, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid is sourced from PubChem (CID 87220292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).