3-butan-2-yloxy-2-ethoxypropanoic acid

C9H18O4 — CID 63074689

IUPAC3-butan-2-yloxy-2-ethoxypropanoic acid
SMILESCCOC(COC(C)CC)C(=O)O
InChIInChI=1S/C9H18O4/c1-4-7(3)13-6-8(9(10)11)12-5-2/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPOYKCHROYJDJPU-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.29
Rot. Bonds7

About 3-butan-2-yloxy-2-ethoxypropanoic acid

3-butan-2-yloxy-2-ethoxypropanoic acid (PubChem CID 63074689) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-butan-2-yloxy-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-butan-2-yloxy-2-ethoxypropanoic acid
PubChem CID63074689
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-butan-2-yloxy-2-ethoxypropanoic acid
SMILESCCOC(COC(C)CC)C(=O)O
InChIInChI=1S/C9H18O4/c1-4-7(3)13-6-8(9(10)11)12-5-2/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPOYKCHROYJDJPU-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-2-ethoxypropanoic acid?
The IUPAC name of 3-butan-2-yloxy-2-ethoxypropanoic acid (CID 63074689) is 3-butan-2-yloxy-2-ethoxypropanoic acid.
What is the SMILES notation for 3-butan-2-yloxy-2-ethoxypropanoic acid?
The canonical SMILES for 3-butan-2-yloxy-2-ethoxypropanoic acid is CCOC(COC(C)CC)C(=O)O.
What is the InChIKey of 3-butan-2-yloxy-2-ethoxypropanoic acid?
The InChIKey is POYKCHROYJDJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-7(3)13-6-8(9(10)11)12-5-2/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-butan-2-yloxy-2-ethoxypropanoic acid?
3-butan-2-yloxy-2-ethoxypropanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-2-ethoxypropanoic acid is sourced from PubChem (CID 63074689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).