[(7E)-dodeca-7,9-dienyl] acetate

C14H24O2 — CID 154511780

IUPAC[(7E)-dodeca-7,9-dienyl] acetate
SMILESCCC=C/C=C/CCCCCCOC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4?,7-6+
InChIKeyLLRZUAWETKPZJO-VFABXPAXSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds9

About [(7E)-dodeca-7,9-dienyl] acetate

[(7E)-dodeca-7,9-dienyl] acetate (PubChem CID 154511780) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(7E)-dodeca-7,9-dienyl] acetate.

Molecular Properties

Compound Name[(7E)-dodeca-7,9-dienyl] acetate
PubChem CID154511780
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(7E)-dodeca-7,9-dienyl] acetate
SMILESCCC=C/C=C/CCCCCCOC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4?,7-6+
InChIKeyLLRZUAWETKPZJO-VFABXPAXSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(7E)-dodeca-7,9-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 [(7E)-dodeca-7,9-dienyl] acetate?
The IUPAC name of [(7E)-dodeca-7,9-dienyl] acetate (CID 154511780) is [(7E)-dodeca-7,9-dienyl] acetate.
What is the SMILES notation for [(7E)-dodeca-7,9-dienyl] acetate?
The canonical SMILES for [(7E)-dodeca-7,9-dienyl] acetate is CCC=C/C=C/CCCCCCOC(C)=O.
What is the InChIKey of [(7E)-dodeca-7,9-dienyl] acetate?
The InChIKey is LLRZUAWETKPZJO-VFABXPAXSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4?,7-6+.
What are the key properties of [(7E)-dodeca-7,9-dienyl] acetate?
[(7E)-dodeca-7,9-dienyl] acetate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7E)-dodeca-7,9-dienyl] acetate is sourced from PubChem (CID 154511780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).