ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate

C26H42O2 — CID 166789450

IUPACethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate
SMILESCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OCC
InChIInChI=1S/C26H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-4-2/h16-25H,3-15H2,1-2H3/b17-16+,19-18+,21-20+,23-22+,25-24+
InChIKeyCCOFRUKSYYGJRC-KDUGKQBNSA-N
MW386.62 g/mol
LogP8.03
Rot. Bonds18

About ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate

ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate (PubChem CID 166789450) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate.

Molecular Properties

Compound Nameethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate
PubChem CID166789450
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Nameethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate
SMILESCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OCC
InChIInChI=1S/C26H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-4-2/h16-25H,3-15H2,1-2H3/b17-16+,19-18+,21-20+,23-22+,25-24+
InChIKeyCCOFRUKSYYGJRC-KDUGKQBNSA-N
XLogP8.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 58.03
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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Related Compounds

ethyl (2E,4E,6E,8E,10E)-henicosa-2,4,6,8,10-pentaenoate
CID 74223057
ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
CID 87304480
ethyl (2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraenoate
CID 23252965
2-methylpropyl docosa-2,4,6,8,10,12-hexaenoate
CID 139917793
[(Z)-octadec-9-enyl] icosa-2,4,6-trienoate
CID 172556529
propyl octadeca-2,4-dienoate
CID 87964592
propyl dodeca-2,4-dienoate
CID 91204454
ethyl tridec-2-enoate
CID 54010960
ethyl (E)-octadec-2-enoate
CID 10913939
methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
icosa-2,4-dieneperoxoic acid
CID 174983513

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate?
The IUPAC name of ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate (CID 166789450) is ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate.
What is the SMILES notation for ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate?
The canonical SMILES for ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate is CCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OCC.
What is the InChIKey of ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate?
The InChIKey is CCOFRUKSYYGJRC-KDUGKQBNSA-N. The full InChI is InChI=1S/C26H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-4-2/h16-25H,3-15H2,1-2H3/b17-16+,19-18+,21-20+,23-22+,25-24+.
What are the key properties of ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate?
ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate has a molecular weight of 386.62 g/mol, XLogP of 8.03, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate is sourced from PubChem (CID 166789450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).