3-ethoxyprop-2-enoyl chloride

C5H7ClO2 — CID 3014429

IUPAC3-ethoxyprop-2-enoyl chloride
SMILESCCOC=CC(=O)Cl
InChIInChI=1S/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3
InChIKeySFMFACMIOWQIPR-UHFFFAOYSA-N
MW134.56 g/mol
LogP1.30
Rot. Bonds3

About 3-ethoxyprop-2-enoyl chloride

3-ethoxyprop-2-enoyl chloride (PubChem CID 3014429) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is 3-ethoxyprop-2-enoyl chloride.

Molecular Properties

Compound Name3-ethoxyprop-2-enoyl chloride
PubChem CID3014429
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Name3-ethoxyprop-2-enoyl chloride
SMILESCCOC=CC(=O)Cl
InChIInChI=1S/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3
InChIKeySFMFACMIOWQIPR-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.56
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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-ethoxyprop-2-enoyl chloride?
The IUPAC name of 3-ethoxyprop-2-enoyl chloride (CID 3014429) is 3-ethoxyprop-2-enoyl chloride.
What is the SMILES notation for 3-ethoxyprop-2-enoyl chloride?
The canonical SMILES for 3-ethoxyprop-2-enoyl chloride is CCOC=CC(=O)Cl.
What is the InChIKey of 3-ethoxyprop-2-enoyl chloride?
The InChIKey is SFMFACMIOWQIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3.
What are the key properties of 3-ethoxyprop-2-enoyl chloride?
3-ethoxyprop-2-enoyl chloride has a molecular weight of 134.56 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyprop-2-enoyl chloride is sourced from PubChem (CID 3014429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).