non-2-en-4-yl acetate

C11H20O2 — CID 54438194

IUPACnon-2-en-4-yl acetate
SMILESCC=CC(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
InChIKeyWMFDOJLPEUKEHZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds6

About non-2-en-4-yl acetate

non-2-en-4-yl acetate (PubChem CID 54438194) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is non-2-en-4-yl acetate.

Molecular Properties

Compound Namenon-2-en-4-yl acetate
PubChem CID54438194
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namenon-2-en-4-yl acetate
SMILESCC=CC(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
InChIKeyWMFDOJLPEUKEHZ-UHFFFAOYSA-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'}

Analyze non-2-en-4-yl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of non-2-en-4-yl acetate?
The IUPAC name of non-2-en-4-yl acetate (CID 54438194) is non-2-en-4-yl acetate.
What is the SMILES notation for non-2-en-4-yl acetate?
The canonical SMILES for non-2-en-4-yl acetate is CC=CC(CCCCC)OC(C)=O.
What is the InChIKey of non-2-en-4-yl acetate?
The InChIKey is WMFDOJLPEUKEHZ-UHFFFAOYSA-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.
What are the key properties of non-2-en-4-yl acetate?
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 non-2-en-4-yl acetate is sourced from PubChem (CID 54438194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).