ethyl (E)-non-2-enoate

C11H20O2 — CID 5364389

IUPACethyl (E)-non-2-enoate
SMILESCCCCCC/C=C/C(=O)OCC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyZCSDUGXKKBIICL-MDZDMXLPSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About ethyl (E)-non-2-enoate

ethyl (E)-non-2-enoate (PubChem CID 5364389) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl (E)-non-2-enoate.

Molecular Properties

Compound Nameethyl (E)-non-2-enoate
PubChem CID5364389
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl (E)-non-2-enoate
SMILESCCCCCC/C=C/C(=O)OCC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyZCSDUGXKKBIICL-MDZDMXLPSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl (E)-non-2-enoate?
The IUPAC name of ethyl (E)-non-2-enoate (CID 5364389) is ethyl (E)-non-2-enoate.
What is the SMILES notation for ethyl (E)-non-2-enoate?
The canonical SMILES for ethyl (E)-non-2-enoate is CCCCCC/C=C/C(=O)OCC.
What is the InChIKey of ethyl (E)-non-2-enoate?
The InChIKey is ZCSDUGXKKBIICL-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h9-10H,3-8H2,1-2H3/b10-9+.
What are the key properties of ethyl (E)-non-2-enoate?
ethyl (E)-non-2-enoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-non-2-enoate is sourced from PubChem (CID 5364389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).