ethyl (3Z,6Z)-dodeca-3,6-dienoate

C14H24O2 — CID 134980276

IUPACethyl (3Z,6Z)-dodeca-3,6-dienoate
SMILESCCCCC/C=C\C/C=C\CC(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,11-12H,3-7,10,13H2,1-2H3/b9-8-,12-11-
InChIKeyGSHPUYYSXUNCRK-MURFETPASA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds9

About ethyl (3Z,6Z)-dodeca-3,6-dienoate

ethyl (3Z,6Z)-dodeca-3,6-dienoate (PubChem CID 134980276) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl (3Z,6Z)-dodeca-3,6-dienoate.

Molecular Properties

Compound Nameethyl (3Z,6Z)-dodeca-3,6-dienoate
PubChem CID134980276
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl (3Z,6Z)-dodeca-3,6-dienoate
SMILESCCCCC/C=C\C/C=C\CC(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,11-12H,3-7,10,13H2,1-2H3/b9-8-,12-11-
InChIKeyGSHPUYYSXUNCRK-MURFETPASA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (6E,9Z,12E)-octadeca-6,9,12-trienoate
CID 124933434
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
methyl (3E,6E)-octadeca-3,6-dienoate
CID 14122947
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
ethyl hept-3-enoate
CID 533698
CID 175771564
CID 175771564
ethyl 13-hydroxyicosa-5,8,11,14-tetraenoate
CID 72739134
ethyl (6Z,12Z,15Z)-octadeca-6,12,15-trienoate
CID 142071444
icosa-5,8,11,14-tetraenoyl icosa-5,8,11,14-tetraeneperoxoate
CID 54235678
ethyl (E)-tridec-4-enoate
CID 10944557
[(6E,9E,12E)-octadeca-6,9,12-trienoyl] (6E,9E,12E)-octadeca-6,9,12-trienoate
CID 87579236

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z,6Z)-dodeca-3,6-dienoate?
The IUPAC name of ethyl (3Z,6Z)-dodeca-3,6-dienoate (CID 134980276) is ethyl (3Z,6Z)-dodeca-3,6-dienoate.
What is the SMILES notation for ethyl (3Z,6Z)-dodeca-3,6-dienoate?
The canonical SMILES for ethyl (3Z,6Z)-dodeca-3,6-dienoate is CCCCC/C=C\C/C=C\CC(=O)OCC.
What is the InChIKey of ethyl (3Z,6Z)-dodeca-3,6-dienoate?
The InChIKey is GSHPUYYSXUNCRK-MURFETPASA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,11-12H,3-7,10,13H2,1-2H3/b9-8-,12-11-.
What are the key properties of ethyl (3Z,6Z)-dodeca-3,6-dienoate?
ethyl (3Z,6Z)-dodeca-3,6-dienoate 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 ethyl (3Z,6Z)-dodeca-3,6-dienoate is sourced from PubChem (CID 134980276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).