2-ethoxyethyl prop-2-enoate

C7H12O3 — CID 7827

IUPAC2-ethoxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC
InChIInChI=1S/C7H12O3/c1-3-7(8)10-6-5-9-4-2/h3H,1,4-6H2,2H3
InChIKeyFWWXYLGCHHIKNY-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds5

About 2-ethoxyethyl prop-2-enoate

2-ethoxyethyl prop-2-enoate (PubChem CID 7827) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethoxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-ethoxyethyl prop-2-enoate
PubChem CID7827
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-ethoxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC
InChIInChI=1S/C7H12O3/c1-3-7(8)10-6-5-9-4-2/h3H,1,4-6H2,2H3
InChIKeyFWWXYLGCHHIKNY-UHFFFAOYSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl prop-2-enoate?
The IUPAC name of 2-ethoxyethyl prop-2-enoate (CID 7827) is 2-ethoxyethyl prop-2-enoate.
What is the SMILES notation for 2-ethoxyethyl prop-2-enoate?
The canonical SMILES for 2-ethoxyethyl prop-2-enoate is C=CC(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl prop-2-enoate?
The InChIKey is FWWXYLGCHHIKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(8)10-6-5-9-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 2-ethoxyethyl prop-2-enoate?
2-ethoxyethyl prop-2-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl prop-2-enoate is sourced from PubChem (CID 7827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).