(3E)-2-ethoxynona-1,3-diene

C11H20O — CID 24973965

IUPAC(3E)-2-ethoxynona-1,3-diene
SMILESC=C(/C=C/CCCCC)OCC
InChIInChI=1S/C11H20O/c1-4-6-7-8-9-10-11(3)12-5-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyJGEJOLFIXJVQCM-MDZDMXLPSA-N
MW168.28 g/mol
LogP3.67
Rot. Bonds7

About (3E)-2-ethoxynona-1,3-diene

(3E)-2-ethoxynona-1,3-diene (PubChem CID 24973965) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E)-2-ethoxynona-1,3-diene.

Molecular Properties

Compound Name(3E)-2-ethoxynona-1,3-diene
PubChem CID24973965
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3E)-2-ethoxynona-1,3-diene
SMILESC=C(/C=C/CCCCC)OCC
InChIInChI=1S/C11H20O/c1-4-6-7-8-9-10-11(3)12-5-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyJGEJOLFIXJVQCM-MDZDMXLPSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-ethoxynona-1,3-diene?
The IUPAC name of (3E)-2-ethoxynona-1,3-diene (CID 24973965) is (3E)-2-ethoxynona-1,3-diene.
What is the SMILES notation for (3E)-2-ethoxynona-1,3-diene?
The canonical SMILES for (3E)-2-ethoxynona-1,3-diene is C=C(/C=C/CCCCC)OCC.
What is the InChIKey of (3E)-2-ethoxynona-1,3-diene?
The InChIKey is JGEJOLFIXJVQCM-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-7-8-9-10-11(3)12-5-2/h9-10H,3-8H2,1-2H3/b10-9+.
What are the key properties of (3E)-2-ethoxynona-1,3-diene?
(3E)-2-ethoxynona-1,3-diene has a molecular weight of 168.28 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-ethoxynona-1,3-diene is sourced from PubChem (CID 24973965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).