2-ethoxy-4-(2-methylpropoxy)butanoic acid

C10H20O4 — CID 63074828

IUPAC2-ethoxy-4-(2-methylpropoxy)butanoic acid
SMILESCCOC(CCOCC(C)C)C(=O)O
InChIInChI=1S/C10H20O4/c1-4-14-9(10(11)12)5-6-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyWASGZPDKTJPHQN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.54
Rot. Bonds8

About 2-ethoxy-4-(2-methylpropoxy)butanoic acid

2-ethoxy-4-(2-methylpropoxy)butanoic acid (PubChem CID 63074828) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methylpropoxy)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(2-methylpropoxy)butanoic acid
PubChem CID63074828
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-ethoxy-4-(2-methylpropoxy)butanoic acid
SMILESCCOC(CCOCC(C)C)C(=O)O
InChIInChI=1S/C10H20O4/c1-4-14-9(10(11)12)5-6-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyWASGZPDKTJPHQN-UHFFFAOYSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-methylpropoxy)butanoic acid?
The IUPAC name of 2-ethoxy-4-(2-methylpropoxy)butanoic acid (CID 63074828) is 2-ethoxy-4-(2-methylpropoxy)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(2-methylpropoxy)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(2-methylpropoxy)butanoic acid is CCOC(CCOCC(C)C)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(2-methylpropoxy)butanoic acid?
The InChIKey is WASGZPDKTJPHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-14-9(10(11)12)5-6-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-ethoxy-4-(2-methylpropoxy)butanoic acid?
2-ethoxy-4-(2-methylpropoxy)butanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methylpropoxy)butanoic acid is sourced from PubChem (CID 63074828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).