3-(1-ethoxypropoxy)prop-2-enoic acid

C8H14O4 — CID 87228040

IUPAC3-(1-ethoxypropoxy)prop-2-enoic acid
SMILESCCOC(CC)OC=CC(=O)O
InChIInChI=1S/C8H14O4/c1-3-8(11-4-2)12-6-5-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYSGYLTSMAANRCN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.37
Rot. Bonds6

About 3-(1-ethoxypropoxy)prop-2-enoic acid

3-(1-ethoxypropoxy)prop-2-enoic acid (PubChem CID 87228040) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(1-ethoxypropoxy)prop-2-enoic acid.

Molecular Properties

Compound Name3-(1-ethoxypropoxy)prop-2-enoic acid
PubChem CID87228040
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(1-ethoxypropoxy)prop-2-enoic acid
SMILESCCOC(CC)OC=CC(=O)O
InChIInChI=1S/C8H14O4/c1-3-8(11-4-2)12-6-5-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYSGYLTSMAANRCN-UHFFFAOYSA-N
XLogP1.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropoxy)prop-2-enoic acid?
The IUPAC name of 3-(1-ethoxypropoxy)prop-2-enoic acid (CID 87228040) is 3-(1-ethoxypropoxy)prop-2-enoic acid.
What is the SMILES notation for 3-(1-ethoxypropoxy)prop-2-enoic acid?
The canonical SMILES for 3-(1-ethoxypropoxy)prop-2-enoic acid is CCOC(CC)OC=CC(=O)O.
What is the InChIKey of 3-(1-ethoxypropoxy)prop-2-enoic acid?
The InChIKey is YSGYLTSMAANRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-8(11-4-2)12-6-5-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-(1-ethoxypropoxy)prop-2-enoic acid?
3-(1-ethoxypropoxy)prop-2-enoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropoxy)prop-2-enoic acid is sourced from PubChem (CID 87228040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).