[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate

C15H24O3 — CID 13291921

IUPAC[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate
SMILESCC(=O)OCC(=O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O3/c1-12(2)7-5-8-13(3)9-6-10-15(17)11-18-14(4)16/h7,9H,5-6,8,10-11H2,1-4H3/b13-9+
InChIKeyWEDAIGCVWAEOIW-UKTHLTGXSA-N
MW252.35 g/mol
LogP3.59
Rot. Bonds8

About [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate

[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate (PubChem CID 13291921) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate.

Molecular Properties

Compound Name[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate
PubChem CID13291921
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate
SMILESCC(=O)OCC(=O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O3/c1-12(2)7-5-8-13(3)9-6-10-15(17)11-18-14(4)16/h7,9H,5-6,8,10-11H2,1-4H3/b13-9+
InChIKeyWEDAIGCVWAEOIW-UKTHLTGXSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] 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 [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate?
The IUPAC name of [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate (CID 13291921) is [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate.
What is the SMILES notation for [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate?
The canonical SMILES for [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate is CC(=O)OCC(=O)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate?
The InChIKey is WEDAIGCVWAEOIW-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H24O3/c1-12(2)7-5-8-13(3)9-6-10-15(17)11-18-14(4)16/h7,9H,5-6,8,10-11H2,1-4H3/b13-9+.
What are the key properties of [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate?
[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate has a molecular weight of 252.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dienyl] acetate is sourced from PubChem (CID 13291921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).