[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate

C9H14O4 — CID 164848684

IUPAC[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate
SMILESC=CC(=O)O/C=C/OCCOCC
InChIInChI=1S/C9H14O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3,7-8H,1,4-6H2,2H3/b8-7+
InChIKeyIETAFAZSSHVJSN-BQYQJAHWSA-N
MW186.21 g/mol
LogP1.24
Rot. Bonds7

About [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate

[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate (PubChem CID 164848684) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate.

Molecular Properties

Compound Name[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate
PubChem CID164848684
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate
SMILESC=CC(=O)O/C=C/OCCOCC
InChIInChI=1S/C9H14O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3,7-8H,1,4-6H2,2H3/b8-7+
InChIKeyIETAFAZSSHVJSN-BQYQJAHWSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate?
The IUPAC name of [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate (CID 164848684) is [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate.
What is the SMILES notation for [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate?
The canonical SMILES for [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate is C=CC(=O)O/C=C/OCCOCC.
What is the InChIKey of [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate?
The InChIKey is IETAFAZSSHVJSN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3,7-8H,1,4-6H2,2H3/b8-7+.
What are the key properties of [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate?
[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate is sourced from PubChem (CID 164848684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).