2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid

C11H22O3 — CID 114987810

IUPAC2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
SMILESCCC(C)(OC(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H22O3/c1-6-11(5,10(12)13)14-9(4)7-8(2)3/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyRJQDYNXQYNWSFV-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds6

About 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid

2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid (PubChem CID 114987810) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
PubChem CID114987810
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
SMILESCCC(C)(OC(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H22O3/c1-6-11(5,10(12)13)14-9(4)7-8(2)3/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyRJQDYNXQYNWSFV-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.69
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
2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid
CID 114989185
2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
CID 79622869
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
(2S)-2-ethyl-2,4,6-trimethylheptanoic acid;2-methylpropane
CID 178133333
2-methyl-2-propan-2-yloxy-1-silylbutan-1-one
CID 173236358
3-(2,5-dimethylhexan-3-yloxy)-2,2-dimethyl-3-oxopropanoic acid
CID 87932227
2-[6-(2-carboxybutan-2-yloxy)-6-oxohexanoyl]oxy-2-methylbutanoic acid
CID 87674379
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
2,5-dimethyl-2-(4-methylpentoxy)hexanoic acid
CID 114994396
2-ethyl-2-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 114996709
alumane;2,2-di(propan-2-yloxy)butanoic acid
CID 174388834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid?
The IUPAC name of 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid (CID 114987810) is 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid?
The canonical SMILES for 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid is CCC(C)(OC(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid?
The InChIKey is RJQDYNXQYNWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-11(5,10(12)13)14-9(4)7-8(2)3/h8-9H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid?
2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid is sourced from PubChem (CID 114987810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).