2-(2-butan-2-yloxyethoxy)acetic acid

C8H16O4 — CID 58779511

IUPAC2-(2-butan-2-yloxyethoxy)acetic acid
SMILESCCC(C)OCCOCC(=O)O
InChIInChI=1S/C8H16O4/c1-3-7(2)12-5-4-11-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyOWRVAGARGPSYBA-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.90
Rot. Bonds7

About 2-(2-butan-2-yloxyethoxy)acetic acid

2-(2-butan-2-yloxyethoxy)acetic acid (PubChem CID 58779511) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-butan-2-yloxyethoxy)acetic acid
PubChem CID58779511
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(2-butan-2-yloxyethoxy)acetic acid
SMILESCCC(C)OCCOCC(=O)O
InChIInChI=1S/C8H16O4/c1-3-7(2)12-5-4-11-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyOWRVAGARGPSYBA-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.90
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

2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
2-[2-(1-aminoethoxy)ethoxy]acetic acid
CID 19037384
2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid
CID 57218988
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 163504653
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
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]acetic acid
CID 15118673
2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid
CID 138695823
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 2-(2-butan-2-yloxyethoxy)acetic acid?
The IUPAC name of 2-(2-butan-2-yloxyethoxy)acetic acid (CID 58779511) is 2-(2-butan-2-yloxyethoxy)acetic acid.
What is the SMILES notation for 2-(2-butan-2-yloxyethoxy)acetic acid?
The canonical SMILES for 2-(2-butan-2-yloxyethoxy)acetic acid is CCC(C)OCCOCC(=O)O.
What is the InChIKey of 2-(2-butan-2-yloxyethoxy)acetic acid?
The InChIKey is OWRVAGARGPSYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-7(2)12-5-4-11-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-butan-2-yloxyethoxy)acetic acid?
2-(2-butan-2-yloxyethoxy)acetic acid has a molecular weight of 176.21 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyethoxy)acetic acid is sourced from PubChem (CID 58779511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).