2-(2-methylbutan-2-yloxy)acetic acid

C7H14O3 — CID 23600030

IUPAC2-(2-methylbutan-2-yloxy)acetic acid
SMILESCCC(C)(C)OCC(=O)O
InChIInChI=1S/C7H14O3/c1-4-7(2,3)10-5-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyULAAVKXNQXUALP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds4

About 2-(2-methylbutan-2-yloxy)acetic acid

2-(2-methylbutan-2-yloxy)acetic acid (PubChem CID 23600030) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)acetic acid
PubChem CID23600030
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(2-methylbutan-2-yloxy)acetic acid
SMILESCCC(C)(C)OCC(=O)O
InChIInChI=1S/C7H14O3/c1-4-7(2,3)10-5-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyULAAVKXNQXUALP-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)acetic acid?
The IUPAC name of 2-(2-methylbutan-2-yloxy)acetic acid (CID 23600030) is 2-(2-methylbutan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)acetic acid?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)acetic acid is CCC(C)(C)OCC(=O)O.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)acetic acid?
The InChIKey is ULAAVKXNQXUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-7(2,3)10-5-6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-(2-methylbutan-2-yloxy)acetic acid?
2-(2-methylbutan-2-yloxy)acetic acid has a molecular weight of 146.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)acetic acid is sourced from PubChem (CID 23600030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).