[(E)-non-2-enyl] acetate

C11H20O2 — CID 6365451

IUPAC[(E)-non-2-enyl] acetate
SMILESCCCCCC/C=C/COC(C)=O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8+
InChIKeyWFCCNPHGLLPSDJ-CMDGGOBGSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About [(E)-non-2-enyl] acetate

[(E)-non-2-enyl] acetate (PubChem CID 6365451) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-non-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-non-2-enyl] acetate
PubChem CID6365451
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-non-2-enyl] acetate
SMILESCCCCCC/C=C/COC(C)=O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8+
InChIKeyWFCCNPHGLLPSDJ-CMDGGOBGSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-non-2-enyl] acetate?
The IUPAC name of [(E)-non-2-enyl] acetate (CID 6365451) is [(E)-non-2-enyl] acetate.
What is the SMILES notation for [(E)-non-2-enyl] acetate?
The canonical SMILES for [(E)-non-2-enyl] acetate is CCCCCC/C=C/COC(C)=O.
What is the InChIKey of [(E)-non-2-enyl] acetate?
The InChIKey is WFCCNPHGLLPSDJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8+.
What are the key properties of [(E)-non-2-enyl] acetate?
[(E)-non-2-enyl] acetate 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 [(E)-non-2-enyl] acetate is sourced from PubChem (CID 6365451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).