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

C12H24O3 — CID 114989185

IUPAC2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid
SMILESCCC(C)(C)OC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-7-11(4,5)15-12(6,10(13)14)8-9(2)3/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyJLKZQVZRQGNRMX-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.08
Rot. Bonds6

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

2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid (PubChem CID 114989185) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid
PubChem CID114989185
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid
SMILESCCC(C)(C)OC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-7-11(4,5)15-12(6,10(13)14)8-9(2)3/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyJLKZQVZRQGNRMX-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
CID 114991026
2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
CID 126560988
2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
CID 114987810
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
methanol;2-methyl-2-(2-methylbutan-2-yloxy)butane;propan-2-ol
CID 137497560
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
CID 114994799
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
2-methylbutan-2-yl 2-methylpropaneperoxoate
CID 54000649

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid (CID 114989185) is 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid is CCC(C)(C)OC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid?
The InChIKey is JLKZQVZRQGNRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-7-11(4,5)15-12(6,10(13)14)8-9(2)3/h9H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid?
2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid has a molecular weight of 216.32 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid is sourced from PubChem (CID 114989185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).