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2,4-Heptadienal

PubChem CID: 5283321

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Compound Synonyms (2E,4E)-Hepta-2,4-dienal, 2,4-HEPTADIENAL, trans,trans-2,4-Heptadienal, 4313-03-5, Trans-2-trans-4-Heptadienal, 5910-85-0, (E,E)-2,4-Heptadienal, 2,4-Heptadienal, (2E,4E)-, 2,4-Heptadienal, (E,E)-, (E,E)-2,4-Heptadien-1-al, (e,e)-hepta-2,4-dienal, FEMA No. 3164, (2E,4E)-2,4-Heptadienal, 2,4-Heptadien-1-al, VY79R3SU8X, trans,trans-Hepta-2,4-dienal, trans, trans, -24-Heptandienal, 2,4-Heptdienal, trans,trans-2,4-Heptadienal (Technical Grade, 90%), (2E,4Z)-2,4-heptadienal, BRN 1739522, EINECS 227-627-4, EINECS 224-328-0, MFCD00007005, starbld0000834, UNII-VY79R3SU8X, 2,4-(E,E)-Heptadienal, (e, e)-2,4-heptadienal, Hepta-2(E),4(E)-dienal, SCHEMBL231267, SCHEMBL231268, trans, trans-2,4-Heptandienal, CHEMBL2269080, (E)-2,(E)-4- Heptadienal, 2,4-HEPTADIENAL [FHFI], DTXSID60872846, CHEBI:132837, (2E,4E)-2,4-Heptadienal #, ALL-TRANS-2,4-HEPTADIENAL, LMFA06000024, (E),(E)-2,4-HEPTADIENAL, AKOS015900514, CS-W013668, HY-W012952, trans,trans-2,4-Heptandienal, >=88%, 2,4-Heptadienal, technical grade, 90%, BS-16809, LS-13292, (E),(E)-2,4-HEPTADIENAL [FCC], DB-003790, H0681, NS00012512, D90931, EN300-1829152, A826167, Q27292092, trans,trans-2,4-Heptadienal (Technical Grade, 90per cent)
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=C/C=C/C=O
Heavy Atom Count 8.0
Classyfire Class Organooxygen compounds
Description Flavouring compound [Flavornet]
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 101.0
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,4E)-hepta-2,4-dienal
Prediction Hob 1.0
Class Organooxygen compounds
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 1.6
Superclass Organic oxygen compounds
Subclass Carbonyl compounds
Gsk 4 400 Rule True
Molecular Formula C7H10O
Prediction Swissadme 0.0
Inchi Key SATICYYAWWYRAM-VNKDHWASSA-N
Silicos It Class Soluble
Fcsp3 0.2857142857142857
Logs -0.46
Rotatable Bond Count 3.0
Logd 0.625
Synonyms (2E,4E)-2,4-Heptadienal, (e,e)-2,4-Heptadien-1-al, (e,e)-2,4-Heptadienal, 2,4-Heptadienal, trans,trans-2,4-Heptadienal, trans,trans-Hepta-2,4-dienal, (2E,4Z)-2,4-Heptadienal, (e)-2,(e)-4-heptadienal, (e,e)-2,4-heptadienal, (e,e)-2-4-hexadienal, 2,4-heptadienal, 2,4-heptadienal, (e,e)-, 2-4 heptadienal, 2e,4e-heptadienal, ee-24-heptadienal
Esol Class Very soluble
Functional Groups C/C=C/C=C/C=O
Compound Name 2,4-Heptadienal
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 110.073
Formal Charge 0.0
Monoisotopic Mass 110.073
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 110.15
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 -1.3455672
Inchi InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+
Smiles CC/C=C/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