ethyl (2E,6Z)-dodeca-2,6-dienoate

C14H24O2 — CID 6438206

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

About ethyl (2E,6Z)-dodeca-2,6-dienoate

ethyl (2E,6Z)-dodeca-2,6-dienoate (PubChem CID 6438206) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl (2E,6Z)-dodeca-2,6-dienoate.

Molecular Properties

Compound Nameethyl (2E,6Z)-dodeca-2,6-dienoate
PubChem CID6438206
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl (2E,6Z)-dodeca-2,6-dienoate
SMILESCCCCC/C=C\CC/C=C/C(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+
InChIKeyAASSLPGKTZCKLS-YILALFFRSA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6Z)-dodeca-2,6-dienoate?
The IUPAC name of ethyl (2E,6Z)-dodeca-2,6-dienoate (CID 6438206) is ethyl (2E,6Z)-dodeca-2,6-dienoate.
What is the SMILES notation for ethyl (2E,6Z)-dodeca-2,6-dienoate?
The canonical SMILES for ethyl (2E,6Z)-dodeca-2,6-dienoate is CCCCC/C=C\CC/C=C/C(=O)OCC.
What is the InChIKey of ethyl (2E,6Z)-dodeca-2,6-dienoate?
The InChIKey is AASSLPGKTZCKLS-YILALFFRSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+.
What are the key properties of ethyl (2E,6Z)-dodeca-2,6-dienoate?
ethyl (2E,6Z)-dodeca-2,6-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 (2E,6Z)-dodeca-2,6-dienoate is sourced from PubChem (CID 6438206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).