methyl (2E,4Z)-dodeca-2,4-dienoate

C13H22O2 — CID 5463193

IUPACmethyl (2E,4Z)-dodeca-2,4-dienoate
SMILESCCCCCCC/C=C\C=C\C(=O)OC
InChIInChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h9-12H,3-8H2,1-2H3/b10-9-,12-11+
InChIKeyFWDIWEBRLBVZRE-XAZJVICWSA-N
MW210.32 g/mol
LogP3.63
Rot. Bonds8

About methyl (2E,4Z)-dodeca-2,4-dienoate

methyl (2E,4Z)-dodeca-2,4-dienoate (PubChem CID 5463193) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl (2E,4Z)-dodeca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-dodeca-2,4-dienoate
PubChem CID5463193
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namemethyl (2E,4Z)-dodeca-2,4-dienoate
SMILESCCCCCCC/C=C\C=C\C(=O)OC
InChIInChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h9-12H,3-8H2,1-2H3/b10-9-,12-11+
InChIKeyFWDIWEBRLBVZRE-XAZJVICWSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-dodeca-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-dodeca-2,4-dienoate (CID 5463193) is methyl (2E,4Z)-dodeca-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-dodeca-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-dodeca-2,4-dienoate is CCCCCCC/C=C\C=C\C(=O)OC.
What is the InChIKey of methyl (2E,4Z)-dodeca-2,4-dienoate?
The InChIKey is FWDIWEBRLBVZRE-XAZJVICWSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h9-12H,3-8H2,1-2H3/b10-9-,12-11+.
What are the key properties of methyl (2E,4Z)-dodeca-2,4-dienoate?
methyl (2E,4Z)-dodeca-2,4-dienoate has a molecular weight of 210.32 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-dodeca-2,4-dienoate is sourced from PubChem (CID 5463193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).