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(2E,4E,6E) -2,4,6-Octatrienal

CAT: 1596-AR-F09679-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F09679-01Size:10 Units
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CAS Number
16326-86-6
Molecular Formula
C8H10O
Molecular Weight
122.17
API Name
Fatty acid

Chemical Information

2,4,6-Octatrienal

2,4,6-octatrienal is a polyunsaturated fatty aldehyde that is octanal which has 3 double bonds at positions 2, 4 and 6. The configuration of the double bonds is unknown. It is a medium-chain fatty aldehyde, an enal and a polyunsaturated fatty aldehyde.

CAS Number16326-86-6
PubChem CID5283331
IUPAC Name(2E,4E,6E)-octa-2,4,6-trienal
Molecular FormulaC8H10O
Molecular Weight122.16
XLogP1.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity141
SMILES
C/C=C/C=C/C=C/C=O
InChI
InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+
InChIKey
ZUZGMJKUENNLQL-ICDJNDDTSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Octatrienal
CAS: 16326-86-6
CID: 5283331
Formula: C8H10O
MW: 122.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.16
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass122.073164938
Monoisotopic Mass122.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-N649540-100MG(2E,4E,6E)-2,4,6-Nonatrienal
HCA01853-01(2E,4E,6E) -2,4,6-Nonatrienal
HY-W779542(2E,4E,6E) -2,4,6-Nonatrienal-13C2
TRC-N649540-1G(2E,4E,6E)-2,4,6-Nonatrienal (>90%)
TRC-N649542-25MG(2E,4E,6E)-2,4,6-Nonatrienal-13C2
421484-01(2E,4E,6E) -2,4,6-Nonatrien-1-ol
GTR19272077-01(2E,4E,6E) -octa-2,4,6-trienoic acid
TRC-N649535-500MG(2E,4E,6E)-2,4,6-Nonatrien-1-ol
OR949640-01(2E,4E,6E) -2,7-Dimethylocta-2,4,6-trienedial
O238980(2E,​4E,​6E)​-2,​4,​6-​Octatrienoic Acid Ethyl Ester

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