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

C11H22O5 — CID 87457805

IUPAC3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
SMILESCC(C)COCCOCCOCCC(=O)O
InChIInChI=1S/C11H22O5/c1-10(2)9-16-8-7-15-6-5-14-4-3-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyZVGGHXFROKXQNT-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.17
Rot. Bonds11

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

3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid (PubChem CID 87457805) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
PubChem CID87457805
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
SMILESCC(C)COCCOCCOCCC(=O)O
InChIInChI=1S/C11H22O5/c1-10(2)9-16-8-7-15-6-5-14-4-3-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyZVGGHXFROKXQNT-UHFFFAOYSA-N
XLogP1.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropoxy)propanoic acid
CID 15033462
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
3-(8-methylnonoxy)propanoic acid
CID 21270829
2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 121469854

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid (CID 87457805) is 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid is CC(C)COCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid?
The InChIKey is ZVGGHXFROKXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-10(2)9-16-8-7-15-6-5-14-4-3-11(12)13/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid has a molecular weight of 234.29 g/mol, XLogP of 1.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 87457805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).