4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid

C14H24O6 — CID 59270037

IUPAC4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid
SMILESCCC(C)(C)OC(=O)CCCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H24O6/c1-4-14(2,3)20-13(18)7-5-6-10-19-12(17)9-8-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyLIPLVALTSBEYKQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.30
Rot. Bonds10

About 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid

4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid (PubChem CID 59270037) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid
PubChem CID59270037
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid
SMILESCCC(C)(C)OC(=O)CCCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H24O6/c1-4-14(2,3)20-13(18)7-5-6-10-19-12(17)9-8-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyLIPLVALTSBEYKQ-UHFFFAOYSA-N
XLogP2.30
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid 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

4-[3-(2-methylbutan-2-yloxy)-3-oxopropoxy]-4-oxobutanoic acid
CID 20776605
6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate
CID 88904975
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
4-[4-(2,2-dimethylbutanoyloxy)butoxy]-4-oxobutanoic acid
CID 58715917
3-[4-(2-methylbutan-2-yloxy)-4-oxobutyl]peroxypropanoic acid
CID 58954431
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
21-tetradecanoyloxyhenicosanoic acid
CID 170564306
hexadecyl octadecanoate;bis(octadecanoic acid)
CID 175591464
octadecanoic acid;tridecyl octadecanoate
CID 88512986
dodecanoic acid;hexyl decanoate
CID 175361588
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid (CID 59270037) is 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid is CCC(C)(C)OC(=O)CCCCOC(=O)CCC(=O)O.
What is the InChIKey of 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid?
The InChIKey is LIPLVALTSBEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-4-14(2,3)20-13(18)7-5-6-10-19-12(17)9-8-11(15)16/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid?
4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid is sourced from PubChem (CID 59270037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).