ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate

C15H24O2 — CID 10847442

IUPACethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate
SMILESCCOC(=O)/C=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O2/c1-5-17-15(16)12-7-6-10-14(4)11-8-9-13(2)3/h7,9-10,12H,5-6,8,11H2,1-4H3/b12-7+,14-10+
InChIKeyXICQPIQPEJHOOI-QUULJSPLSA-N
MW236.35 g/mol
LogP4.19
Rot. Bonds7

About ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate

ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate (PubChem CID 10847442) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate.

Molecular Properties

Compound Nameethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate
PubChem CID10847442
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate
SMILESCCOC(=O)/C=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O2/c1-5-17-15(16)12-7-6-10-14(4)11-8-9-13(2)3/h7,9-10,12H,5-6,8,11H2,1-4H3/b12-7+,14-10+
InChIKeyXICQPIQPEJHOOI-QUULJSPLSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-methylhepta-2,5-dienoate
CID 71346982
ethyl 5,9,13-trimethyltetradeca-2,4,8,12-tetraenoate
CID 54454310
ethyl (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 5366011
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
ethyl (6E,10E)-7,11,15-trimethyl-3-oxohexadeca-6,10,14-trienoate
CID 10969697
ethyl (6Z)-7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11086708
ethyl 7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 54120364
ethyl (2Z,6E)-7,11-dimethyl-3-propan-2-yldodeca-2,6,10-trienoate
CID 177396997
1-iodo-5,9-dimethyldeca-1,4,8-triene
CID 173018120
ethyl (6E)-2,2,7,11-tetramethyl-3-oxododeca-6,10-dienoate
CID 71815721

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate?
The IUPAC name of ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate (CID 10847442) is ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate.
What is the SMILES notation for ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate?
The canonical SMILES for ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate is CCOC(=O)/C=C/C/C=C(\C)CCC=C(C)C.
What is the InChIKey of ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate?
The InChIKey is XICQPIQPEJHOOI-QUULJSPLSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-17-15(16)12-7-6-10-14(4)11-8-9-13(2)3/h7,9-10,12H,5-6,8,11H2,1-4H3/b12-7+,14-10+.
What are the key properties of ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate?
ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate has a molecular weight of 236.35 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate is sourced from PubChem (CID 10847442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).