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trans-2,cis-6-Nonadienal

PubChem CID: 643731

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Compound Synonyms trans-2,cis-6-Nonadienal, 557-48-2, trans,cis-2,6-Nonadienal, (2E,6Z)-nona-2,6-dienal, Violet leaf aldehyde, Cucumber aldehyde, 2,6-Nonadienal, (2E,6Z)-, (E,Z)-2,6-nonadienal, (2E,6Z)-Nonadienal, (2E,6Z)-Nona-2,6-dien-1-al, (2E,6Z)-2,6-Nonadienal, Nona-2,6-dienal, 2-trans-6-cis-Nonadien-1-al, 2,6-NONADIENAL, (E,Z)-, 2-trans-6-cis-Nonadienal, trans-2-cis-6-Nonadienal, Nonadien-2(trans)-6-(cis)-al, FEMA No. 3377, 2E,6Z-nonadienal, nona-2t,6c-dienal, nona-2-trans-6-cis-dienal, 2,6-Nonadienal, trans,cis-, CCRIS 4502, EINECS 209-178-6, t2,c6-Nonadienal, Violet-leaf aldehyde, BRN 1720980, nonadien-(2t.6c)-al-(1), (E,Z)-2,6-nonadien-1-al, AI3-36037, 2,6-(E,Z)-Nonadienal, 93E895X03C, Nona-2,6(E,Z)-dienal, nona-trans-2,cis-6-dienal, (E,Z)-nona-2,6-dienal, (e)-2,(z)-6-nonadienal, Nona-2(E),6(Z)-dienal, CHEBI:7610, trans,cis-2,6-Nonadien-1-al, DTXSID1047104, 2-(trans)-6-(cis)-Nonadienal, 4-01-00-03560 (Beilstein Handbook Reference), (E),(Z)-2,6-NONADIENAL, NONADIENAL, 2-TRANS-6-CIS-, (E),(Z)-2,6-NONADIENAL [FCC], NONA-2-TRANS,-6-CIS-DIENAL [FHFI], FEMA 3377, UNII-93E895X03C, MFCD00007009, Z)-2,6-Nonadienal, 2E,6Z-Nonadien-1-al, SCHEMBL170185, trans-2,cis-6-nonadien-1-al, (2E,6Z)-non-2,6-dienal, (2E,6Z)-2,6-Nonadienal #, DTXCID701767739, trans-2,cis-6-Nonadienal, 95%, LMFA06000117, MFCD00209523, NONA-2-TRANS,-6-CIS-DIENAL, AKOS015950857, FN02650, HY-W127515, CS-0185742, N0836, NS00013028, trans-2,cis-6-Nonadienal, analytical standard, C08499, D95362, Q158544, 247-632-5
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Fatty aldehydes
Deep Smiles CC/C=CCC/C=C/C=O
Heavy Atom Count 10.0
Classyfire Class Organooxygen compounds
Description Violet-leaf aldehyde is a constituent of cherry, melon, peas, cooked potato, wheat bread, other breads, milk, lean and fatty fish, black tea, oyster, clam and other foods. It is the primary odourant in cucumbers. Present in cucumber juice. Flavouring agent.
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 123.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,6Z)-nona-2,6-dienal
Prediction Hob 1.0
Class Carbonyl compounds
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 2.2
Superclass Organooxygen compounds
Subclass Aldehydes
Gsk 4 400 Rule True
Molecular Formula C9H14O
Prediction Swissadme 0.0
Inchi Key HZYHMHHBBBSGHB-ODYTWBPASA-N
Silicos It Class Soluble
Fcsp3 0.4444444444444444
Logs -2.575
Rotatable Bond Count 5.0
Logd 1.496
Synonyms (2E,6Z)-2,6-Nonadienal, (2E,6Z)-Nona-2,6-dien-1-al, (2E,6Z)-nona-2,6-dienal, (2E,6Z)-Nonadienal, (E,Z)-2,6-nonadienal, (E,Z)-nona-2,6-dienal, (E)-2,(Z)-6-nonadienal, 2-(trans)-6-(cis)-Nonadienal, 2-trans-6-cis-Nonadien-1-al, 2-trans-6-cis-Nonadienal, 2,6-(E,Z)-Nonadienal, 2,6-Nonadienal, (2E,6Z)-, 2,6-Nonadienal, (E,Z)-, 2,6-Nonadienal, trans,cis-, Cucumber aldehyde, FEMA 3377, nona-2-trans-6-cis-dienal, Nona-2,6-dienal, Nona-2,6(E,Z)-dienal, Nona-2(E),6(Z)-dienal, nona-2t,6c-dienal, nona-trans-2,cis-6-dienal, nonadien-(2t.6c)-al-(1), Nonadien-2(trans)-6-(cis)-al, t2,c6-nonadienal, trans-2-cis-6-Nonadienal, trans-2,cis-6-Nonadienal, trans,cis-2,6-Nonadien-1-al, trans,cis-2,6-Nonadienal, Violet leaf aldehyde, Violet-leaf aldehyde, Z)-2,6-nonadienal, (e,Z)-2,6-Nonadienal, 2,6-Nonadienal, 2,6-Nonadienal, (e,Z)-isomer, 2,6-Nonadienal, (e,e)-isomer, (2E,6Z)-Nona-2,6-dienal, (e)-2,(Z)-6-Nonadienal, (e,Z)-Nona-2,6-dienal, 2,6-(e,Z)-Nonadienal, Nona-2(e),6(Z)-dienal, Nona-2,6(e,Z)-dienal, Nona-2-trans-6-cis-dienal, Nona-2t,6C-dienal, Nona-trans-2,cis-6-dienal, Nonadien-(2t.6c)-al-(1), T2,C6-Nonadienal, Z)-2,6-Nonadienal, (e)-2,(z)-6-nonadienal, (e, z)-2-nonadienal, (e,z)-2,6,-nonadienal, (e,z)-2,6-nonadienal, 2(e), 6(z)-nonadienal, 2e/6z-nonadienal
Substituent Name Medium-chain aldehyde, Enal, Alpha,beta-unsaturated aldehyde, Hydrocarbon derivative, Aliphatic acyclic compound
Esol Class Very soluble
Functional Groups C/C=C/C=O, C/C=CC
Compound Name trans-2,cis-6-Nonadienal
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 138.104
Formal Charge 0.0
Monoisotopic Mass 138.104
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 138.21
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -1.7592020000000002
Inchi InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+
Smiles CC/C=C\CC/C=C/C=O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Taxonomy Direct Parent Medium-chain aldehydes
Np Classifier Superclass Fatty acyls