(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial

C26H36O2 — CID 25112076

IUPAC(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial
SMILESO=C/C=C/CCCCCCC#CC/C=C\CC#CCCCCCC/C=C/C=O
InChIInChI=1S/C26H36O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-2,21-26H,3-4,9-20H2/b2-1-,23-21+,24-22+
InChIKeyLFHMPAFZCBZYKX-HGJHSXECSA-N
MW380.57 g/mol
LogP6.52
Rot. Bonds16

About (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial

(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial (PubChem CID 25112076) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial.

Molecular Properties

Compound Name(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial
PubChem CID25112076
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial
SMILESO=C/C=C/CCCCCCC#CC/C=C\CC#CCCCCCC/C=C/C=O
InChIInChI=1S/C26H36O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-2,21-26H,3-4,9-20H2/b2-1-,23-21+,24-22+
InChIKeyLFHMPAFZCBZYKX-HGJHSXECSA-N
XLogP6.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
dodec-2-enedial
CID 54372755
(Z)-pentadec-6-en-9-yne
CID 10703505
(8E,10E)-12-oxododeca-8,10-dienenitrile
CID 87790760
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
(2E)-tetradeca-2,13-dienal
CID 87269754
(2E,10Z)-trideca-2,10-dienal
CID 129221038
(E)-7-hydroxyhept-2-enal
CID 88503133
dodec-2-enal;(E)-hex-2-enal
CID 159709120
pentadeca-2,7-dienal
CID 140791013

Frequently Asked Questions

What is the IUPAC name of (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial?
The IUPAC name of (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial (CID 25112076) is (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial.
What is the SMILES notation for (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial?
The canonical SMILES for (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial is O=C/C=C/CCCCCCC#CC/C=C\CC#CCCCCCC/C=C/C=O.
What is the InChIKey of (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial?
The InChIKey is LFHMPAFZCBZYKX-HGJHSXECSA-N. The full InChI is InChI=1S/C26H36O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-2,21-26H,3-4,9-20H2/b2-1-,23-21+,24-22+.
What are the key properties of (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial?
(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial has a molecular weight of 380.57 g/mol, XLogP of 6.52, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial is sourced from PubChem (CID 25112076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).