3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid

C10H20O5 — CID 87458033

IUPAC3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
SMILESCC(C)OCCOCCOCCC(=O)O
InChIInChI=1S/C10H20O5/c1-9(2)15-8-7-14-6-5-13-4-3-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyPUVSSOVPOIWENC-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.92
Rot. Bonds10

About 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid

3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid (PubChem CID 87458033) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
PubChem CID87458033
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
SMILESCC(C)OCCOCCOCCC(=O)O
InChIInChI=1S/C10H20O5/c1-9(2)15-8-7-14-6-5-13-4-3-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyPUVSSOVPOIWENC-UHFFFAOYSA-N
XLogP0.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.92
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-butan-2-yloxyethoxy)propanoic acid
CID 59266758
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
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-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
CID 122472522
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate
CID 66339470

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid (CID 87458033) is 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid is CC(C)OCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid?
The InChIKey is PUVSSOVPOIWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-9(2)15-8-7-14-6-5-13-4-3-10(11)12/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid?
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid has a molecular weight of 220.26 g/mol, XLogP of 0.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 87458033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).