2-[2-(2-methylpropoxy)ethoxy]butanoic acid

C10H20O4 — CID 106446603

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

About 2-[2-(2-methylpropoxy)ethoxy]butanoic acid

2-[2-(2-methylpropoxy)ethoxy]butanoic acid (PubChem CID 106446603) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]butanoic acid
PubChem CID106446603
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]butanoic acid
SMILESCCC(OCCOCC(C)C)C(=O)O
InChIInChI=1S/C10H20O4/c1-4-9(10(11)12)14-6-5-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyFQUOWNPZRYUREW-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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Related Compounds

4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106450669
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid
CID 155251143
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-[2-(2-methylpropoxy)ethoxy]butanimidamide
CID 106447826
2-ethoxy-3-propoxypropanoic acid
CID 63074501
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]butanoic acid (CID 106446603) is 2-[2-(2-methylpropoxy)ethoxy]butanoic acid.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]butanoic acid is CCC(OCCOCC(C)C)C(=O)O.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The InChIKey is FQUOWNPZRYUREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-9(10(11)12)14-6-5-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
2-[2-(2-methylpropoxy)ethoxy]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-[2-(2-methylpropoxy)ethoxy]butanoic acid is sourced from PubChem (CID 106446603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).