[(6E,11E)-trideca-6,11-dienyl] acetate

C15H26O2 — CID 5363393

IUPAC[(6E,11E)-trideca-6,11-dienyl] acetate
SMILESC/C=C/CCC/C=C/CCCCCOC(C)=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4,8-9H,5-7,10-14H2,1-2H3/b4-3+,9-8+
InChIKeyFPATUONTEXVBIQ-DDJGDYJSSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About [(6E,11E)-trideca-6,11-dienyl] acetate

[(6E,11E)-trideca-6,11-dienyl] acetate (PubChem CID 5363393) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(6E,11E)-trideca-6,11-dienyl] acetate.

Molecular Properties

Compound Name[(6E,11E)-trideca-6,11-dienyl] acetate
PubChem CID5363393
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(6E,11E)-trideca-6,11-dienyl] acetate
SMILESC/C=C/CCC/C=C/CCCCCOC(C)=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4,8-9H,5-7,10-14H2,1-2H3/b4-3+,9-8+
InChIKeyFPATUONTEXVBIQ-DDJGDYJSSA-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'}

Analyze [(6E,11E)-trideca-6,11-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

Related Compounds

Citronellyl Acetate
CID 9017
11-Tetradecenyl acetate, (11E)-
CID 5367650
11-Tetradecenyl acetate, (11Z)-
CID 5367692
(Z)-9-Tetradecenyl acetate
CID 5364714
3-Hexenyl hexanoate, (3Z)-
CID 5352543
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
4-Tridecen-1-yl acetate, (4E)-
CID 5365748
Prodlure
CID 6441057
Hexyl 2-hexenoate, (2E)-
CID 6435861
5-Octenyl propionate, (5Z)-
CID 11041412
Ethyl cis-4-heptenoate
CID 15824502
(Z)-7-dodecenyl acetate
CID 5363527

Frequently Asked Questions

What is the IUPAC name of [(6E,11E)-trideca-6,11-dienyl] acetate?
The IUPAC name of [(6E,11E)-trideca-6,11-dienyl] acetate (CID 5363393) is [(6E,11E)-trideca-6,11-dienyl] acetate.
What is the SMILES notation for [(6E,11E)-trideca-6,11-dienyl] acetate?
The canonical SMILES for [(6E,11E)-trideca-6,11-dienyl] acetate is C/C=C/CCC/C=C/CCCCCOC(C)=O.
What is the InChIKey of [(6E,11E)-trideca-6,11-dienyl] acetate?
The InChIKey is FPATUONTEXVBIQ-DDJGDYJSSA-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/h3-4,8-9H,5-7,10-14H2,1-2H3/b4-3+,9-8+.
What are the key properties of [(6E,11E)-trideca-6,11-dienyl] acetate?
[(6E,11E)-trideca-6,11-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 [(6E,11E)-trideca-6,11-dienyl] acetate is sourced from PubChem (CID 5363393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).