[(1E,4E)-dodeca-1,4-dienyl] acetate

C14H24O2 — CID 171363895

IUPAC[(1E,4E)-dodeca-1,4-dienyl] acetate
SMILESCCCCCCC/C=C/C/C=C/OC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h9-10,12-13H,3-8,11H2,1-2H3/b10-9+,13-12+
InChIKeyDBEUXJSAOJYNFB-OKLKQMLOSA-N
MW224.34 g/mol
LogP4.37
Rot. Bonds9

About [(1E,4E)-dodeca-1,4-dienyl] acetate

[(1E,4E)-dodeca-1,4-dienyl] acetate (PubChem CID 171363895) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(1E,4E)-dodeca-1,4-dienyl] acetate.

Molecular Properties

Compound Name[(1E,4E)-dodeca-1,4-dienyl] acetate
PubChem CID171363895
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(1E,4E)-dodeca-1,4-dienyl] acetate
SMILESCCCCCCC/C=C/C/C=C/OC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h9-10,12-13H,3-8,11H2,1-2H3/b10-9+,13-12+
InChIKeyDBEUXJSAOJYNFB-OKLKQMLOSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trideca-1,4,7-trienyl acetate
CID 151112026
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
[(1E,8Z)-tetradeca-1,8-dienyl] acetate
CID 11708627
[(E)-hexadec-1-enyl] acetate
CID 5376351
[(1Z)-hexadeca-1,3-dienyl] acetate
CID 154504226
[(1E,3E)-heptadeca-1,3-dienyl] acetate
CID 135332225
[(9Z)-dodeca-1,9-dienyl] acetate
CID 88595728
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(E)-pentadec-1-enyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 88826725
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867

Frequently Asked Questions

What is the IUPAC name of [(1E,4E)-dodeca-1,4-dienyl] acetate?
The IUPAC name of [(1E,4E)-dodeca-1,4-dienyl] acetate (CID 171363895) is [(1E,4E)-dodeca-1,4-dienyl] acetate.
What is the SMILES notation for [(1E,4E)-dodeca-1,4-dienyl] acetate?
The canonical SMILES for [(1E,4E)-dodeca-1,4-dienyl] acetate is CCCCCCC/C=C/C/C=C/OC(C)=O.
What is the InChIKey of [(1E,4E)-dodeca-1,4-dienyl] acetate?
The InChIKey is DBEUXJSAOJYNFB-OKLKQMLOSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h9-10,12-13H,3-8,11H2,1-2H3/b10-9+,13-12+.
What are the key properties of [(1E,4E)-dodeca-1,4-dienyl] acetate?
[(1E,4E)-dodeca-1,4-dienyl] acetate has a molecular weight of 224.34 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4E)-dodeca-1,4-dienyl] acetate is sourced from PubChem (CID 171363895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).