3-(2-prop-2-enoxyethoxy)propanoic acid

C8H14O4 — CID 59615985

IUPAC3-(2-prop-2-enoxyethoxy)propanoic acid
SMILESC=CCOCCOCCC(=O)O
InChIInChI=1S/C8H14O4/c1-2-4-11-6-7-12-5-3-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKeyDAYGNAZGJAYJCF-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.68
Rot. Bonds8

About 3-(2-prop-2-enoxyethoxy)propanoic acid

3-(2-prop-2-enoxyethoxy)propanoic acid (PubChem CID 59615985) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2-prop-2-enoxyethoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-prop-2-enoxyethoxy)propanoic acid
PubChem CID59615985
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(2-prop-2-enoxyethoxy)propanoic acid
SMILESC=CCOCCOCCC(=O)O
InChIInChI=1S/C8H14O4/c1-2-4-11-6-7-12-5-3-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKeyDAYGNAZGJAYJCF-UHFFFAOYSA-N
XLogP0.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
3-pent-4-enoxypropanoic acid
CID 10034873
3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
CID 88588608
(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid
CID 87907492
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid
CID 155175290
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
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
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
2-oxo-4-prop-2-enoxybutanal
CID 142662076

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enoxyethoxy)propanoic acid?
The IUPAC name of 3-(2-prop-2-enoxyethoxy)propanoic acid (CID 59615985) is 3-(2-prop-2-enoxyethoxy)propanoic acid.
What is the SMILES notation for 3-(2-prop-2-enoxyethoxy)propanoic acid?
The canonical SMILES for 3-(2-prop-2-enoxyethoxy)propanoic acid is C=CCOCCOCCC(=O)O.
What is the InChIKey of 3-(2-prop-2-enoxyethoxy)propanoic acid?
The InChIKey is DAYGNAZGJAYJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-4-11-6-7-12-5-3-8(9)10/h2H,1,3-7H2,(H,9,10).
What are the key properties of 3-(2-prop-2-enoxyethoxy)propanoic acid?
3-(2-prop-2-enoxyethoxy)propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoxyethoxy)propanoic acid is sourced from PubChem (CID 59615985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).