2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid

C11H22O4 — CID 63074300

IUPAC2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
SMILESCCOC(COC(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H22O4/c1-5-14-10(11(12)13)7-15-9(4)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyIUPJHAJPFHTOEQ-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.93
Rot. Bonds8

About 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid

2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid (PubChem CID 63074300) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
PubChem CID63074300
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
SMILESCCOC(COC(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H22O4/c1-5-14-10(11(12)13)7-15-9(4)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyIUPJHAJPFHTOEQ-UHFFFAOYSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid (CID 63074300) is 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid is CCOC(COC(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid?
The InChIKey is IUPJHAJPFHTOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-14-10(11(12)13)7-15-9(4)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid?
2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid has a molecular weight of 218.29 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid is sourced from PubChem (CID 63074300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).