2-(2-propanoyloxyethoxy)acetic acid

C7H12O5 — CID 171607283

IUPAC2-(2-propanoyloxyethoxy)acetic acid
SMILESCCC(=O)OCCOCC(=O)O
InChIInChI=1S/C7H12O5/c1-2-7(10)12-4-3-11-5-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyBFEWWOKLLGRONI-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.04
Rot. Bonds6

About 2-(2-propanoyloxyethoxy)acetic acid

2-(2-propanoyloxyethoxy)acetic acid (PubChem CID 171607283) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(2-propanoyloxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-propanoyloxyethoxy)acetic acid
PubChem CID171607283
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name2-(2-propanoyloxyethoxy)acetic acid
SMILESCCC(=O)OCCOCC(=O)O
InChIInChI=1S/C7H12O5/c1-2-7(10)12-4-3-11-5-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyBFEWWOKLLGRONI-UHFFFAOYSA-N
XLogP0.04
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.04
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

2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
2-(2-chloroethoxy)ethyl propanoate
CID 5092973
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
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-methylprop-2-enoyloxy)ethoxy]acetic acid
CID 23168599
2-ethoxyacetic acid;2-ethoxyethyl acetate
CID 175733176
2-(2,2,2-trifluoroethoxy)ethyl propanoate
CID 88537636
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071

Frequently Asked Questions

What is the IUPAC name of 2-(2-propanoyloxyethoxy)acetic acid?
The IUPAC name of 2-(2-propanoyloxyethoxy)acetic acid (CID 171607283) is 2-(2-propanoyloxyethoxy)acetic acid.
What is the SMILES notation for 2-(2-propanoyloxyethoxy)acetic acid?
The canonical SMILES for 2-(2-propanoyloxyethoxy)acetic acid is CCC(=O)OCCOCC(=O)O.
What is the InChIKey of 2-(2-propanoyloxyethoxy)acetic acid?
The InChIKey is BFEWWOKLLGRONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-2-7(10)12-4-3-11-5-6(8)9/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-(2-propanoyloxyethoxy)acetic acid?
2-(2-propanoyloxyethoxy)acetic acid has a molecular weight of 176.17 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propanoyloxyethoxy)acetic acid is sourced from PubChem (CID 171607283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).