3-(2-butan-2-yloxyethoxy)propanoic acid

C9H18O4 — CID 59266758

IUPAC3-(2-butan-2-yloxyethoxy)propanoic acid
SMILESCCC(C)OCCOCCC(=O)O
InChIInChI=1S/C9H18O4/c1-3-8(2)13-7-6-12-5-4-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyOJANXMYBZUWOME-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.29
Rot. Bonds8

About 3-(2-butan-2-yloxyethoxy)propanoic acid

3-(2-butan-2-yloxyethoxy)propanoic acid (PubChem CID 59266758) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(2-butan-2-yloxyethoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-butan-2-yloxyethoxy)propanoic acid
PubChem CID59266758
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-(2-butan-2-yloxyethoxy)propanoic acid
SMILESCCC(C)OCCOCCC(=O)O
InChIInChI=1S/C9H18O4/c1-3-8(2)13-7-6-12-5-4-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyOJANXMYBZUWOME-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.29
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-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
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-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
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
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180

Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-yloxyethoxy)propanoic acid?
The IUPAC name of 3-(2-butan-2-yloxyethoxy)propanoic acid (CID 59266758) is 3-(2-butan-2-yloxyethoxy)propanoic acid.
What is the SMILES notation for 3-(2-butan-2-yloxyethoxy)propanoic acid?
The canonical SMILES for 3-(2-butan-2-yloxyethoxy)propanoic acid is CCC(C)OCCOCCC(=O)O.
What is the InChIKey of 3-(2-butan-2-yloxyethoxy)propanoic acid?
The InChIKey is OJANXMYBZUWOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-8(2)13-7-6-12-5-4-9(10)11/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 3-(2-butan-2-yloxyethoxy)propanoic acid?
3-(2-butan-2-yloxyethoxy)propanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-yloxyethoxy)propanoic acid is sourced from PubChem (CID 59266758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).