2-[(2-methylpropan-2-yl)oxy]acetic acid

C6H12O3 — CID 2760998

IUPAC2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCC(C)(C)OCC(=O)O
InChIInChI=1S/C6H12O3/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8)
InChIKeyHQLILHPGWSURBT-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.89
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 2760998) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID2760998
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCC(C)(C)OCC(=O)O
InChIInChI=1S/C6H12O3/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8)
InChIKeyHQLILHPGWSURBT-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 2760998) is 2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]acetic acid is CC(C)(C)OCC(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is HQLILHPGWSURBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 132.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 2760998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).