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

C8H14O5 — CID 14271895

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid
SMILESCC(C)(C)OC(=O)COCC(=O)O
InChIInChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyKFROMFPUCBQIKX-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.43
Rot. Bonds4

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

2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid (PubChem CID 14271895) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid
PubChem CID14271895
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid
SMILESCC(C)(C)OC(=O)COCC(=O)O
InChIInChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyKFROMFPUCBQIKX-UHFFFAOYSA-N
XLogP0.43
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid (CID 14271895) is 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid is CC(C)(C)OC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid?
The InChIKey is KFROMFPUCBQIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid has a molecular weight of 190.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 14271895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).