[(E)-non-2-en-4-yl] acetate

C11H20O2 — CID 21317666

IUPAC[(E)-non-2-en-4-yl] acetate
SMILESC/C=C/C(CCCCC)OC(C)=O
InChIInChI=1S/C11H20O2/c1-4-6-7-9-11(8-5-2)13-10(3)12/h5,8,11H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyWMFDOJLPEUKEHZ-VMPITWQZSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds6

About [(E)-non-2-en-4-yl] acetate

[(E)-non-2-en-4-yl] acetate (PubChem CID 21317666) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-non-2-en-4-yl] acetate.

Molecular Properties

Compound Name[(E)-non-2-en-4-yl] acetate
PubChem CID21317666
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-non-2-en-4-yl] acetate
SMILESC/C=C/C(CCCCC)OC(C)=O
InChIInChI=1S/C11H20O2/c1-4-6-7-9-11(8-5-2)13-10(3)12/h5,8,11H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyWMFDOJLPEUKEHZ-VMPITWQZSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
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-en-4-yl] acetate?
The IUPAC name of [(E)-non-2-en-4-yl] acetate (CID 21317666) is [(E)-non-2-en-4-yl] acetate.
What is the SMILES notation for [(E)-non-2-en-4-yl] acetate?
The canonical SMILES for [(E)-non-2-en-4-yl] acetate is C/C=C/C(CCCCC)OC(C)=O.
What is the InChIKey of [(E)-non-2-en-4-yl] acetate?
The InChIKey is WMFDOJLPEUKEHZ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-9-11(8-5-2)13-10(3)12/h5,8,11H,4,6-7,9H2,1-3H3/b8-5+.
What are the key properties of [(E)-non-2-en-4-yl] acetate?
[(E)-non-2-en-4-yl] acetate has a molecular weight of 184.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-non-2-en-4-yl] acetate is sourced from PubChem (CID 21317666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).