3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid

C11H22O6 — CID 163504647

IUPAC3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
SMILESCCC(O)COCCOCCOCCC(=O)O
InChIInChI=1S/C11H22O6/c1-2-10(12)9-17-8-7-16-6-5-15-4-3-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyOJGMYKVHILBPEG-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.28
Rot. Bonds12

About 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid

3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid (PubChem CID 163504647) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
PubChem CID163504647
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
SMILESCCC(O)COCCOCCOCCC(=O)O
InChIInChI=1S/C11H22O6/c1-2-10(12)9-17-8-7-16-6-5-15-4-3-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyOJGMYKVHILBPEG-UHFFFAOYSA-N
XLogP0.28
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
3-[(2S)-3-ethyl-2-hydroxyhexoxy]propanoic acid
CID 174164687
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
3-(2-methylpropoxy)propanoic acid
CID 15033462

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid (CID 163504647) is 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid is CCC(O)COCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid?
The InChIKey is OJGMYKVHILBPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6/c1-2-10(12)9-17-8-7-16-6-5-15-4-3-11(13)14/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid has a molecular weight of 250.29 g/mol, XLogP of 0.28, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 163504647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).