2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid

C13H26O3 — CID 114991026

IUPAC2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
SMILESCC(C)CC(C)OC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H26O3/c1-9(2)7-11(5)16-13(6,12(14)15)8-10(3)4/h9-11H,7-8H2,1-6H3,(H,14,15)
InChIKeyZUNMJGAIOZLQEB-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.33
Rot. Bonds7

About 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid

2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid (PubChem CID 114991026) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
PubChem CID114991026
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
SMILESCC(C)CC(C)OC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H26O3/c1-9(2)7-11(5)16-13(6,12(14)15)8-10(3)4/h9-11H,7-8H2,1-6H3,(H,14,15)
InChIKeyZUNMJGAIOZLQEB-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
CID 114987810
2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid
CID 114989185
2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
CID 126560988
2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
CID 79622869
2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
CID 114994799
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
3-(2,5-dimethylhexan-3-yloxy)-2,2-dimethyl-3-oxopropanoic acid
CID 87932227
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
CID 114868050
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid
CID 64708384
2,5-dimethyl-2-(4-methylpentoxy)hexanoic acid
CID 114994396

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid (CID 114991026) is 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid is CC(C)CC(C)OC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid?
The InChIKey is ZUNMJGAIOZLQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-9(2)7-11(5)16-13(6,12(14)15)8-10(3)4/h9-11H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid?
2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid has a molecular weight of 230.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid is sourced from PubChem (CID 114991026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).