[(4E,7Z)-trideca-4,7-dienyl] acetate

C15H26O2 — CID 6437421

IUPAC[(4E,7Z)-trideca-4,7-dienyl] acetate
SMILESCCCCC/C=C\C/C=C/CCCOC(C)=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
InChIKeyLELQZCNRZHLYFG-QEFCTBRHSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About [(4E,7Z)-trideca-4,7-dienyl] acetate

[(4E,7Z)-trideca-4,7-dienyl] acetate (PubChem CID 6437421) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(4E,7Z)-trideca-4,7-dienyl] acetate.

Molecular Properties

Compound Name[(4E,7Z)-trideca-4,7-dienyl] acetate
PubChem CID6437421
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(4E,7Z)-trideca-4,7-dienyl] acetate
SMILESCCCCC/C=C\C/C=C/CCCOC(C)=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
InChIKeyLELQZCNRZHLYFG-QEFCTBRHSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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 [(4E,7Z)-trideca-4,7-dienyl] acetate?
The IUPAC name of [(4E,7Z)-trideca-4,7-dienyl] acetate (CID 6437421) is [(4E,7Z)-trideca-4,7-dienyl] acetate.
What is the SMILES notation for [(4E,7Z)-trideca-4,7-dienyl] acetate?
The canonical SMILES for [(4E,7Z)-trideca-4,7-dienyl] acetate is CCCCC/C=C\C/C=C/CCCOC(C)=O.
What is the InChIKey of [(4E,7Z)-trideca-4,7-dienyl] acetate?
The InChIKey is LELQZCNRZHLYFG-QEFCTBRHSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+.
What are the key properties of [(4E,7Z)-trideca-4,7-dienyl] acetate?
[(4E,7Z)-trideca-4,7-dienyl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,7Z)-trideca-4,7-dienyl] acetate is sourced from PubChem (CID 6437421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).