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(Z)-non-2-enal

PubChem CID: 5354833

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Compound Synonyms (Z)-Non-2-enal, cis-2-Nonenal, 2-Nonenal, (2Z)-, (Z)-2-nonenal, 60784-31-8, 2-Nonenal, (Z)-, 2-NONENAL, (2Z)-2-Nonenal, UNII-ARM1W3309Z, ARM1W3309Z, 3-Hexylacrolein, 2-(Z)-Nonenal, EINECS 262-428-6, 2-Nonen-1-al, (2Z)-NON-2-ENAL, DTXSID3052274, beta-Hexylacrolein, Heptylideneacetaldehyde, alpha-Nonenyl aldehyde, 3-hexyl-acrolein, 2(E)-nonenal, 2463-53-8, 3-Z-Nonenal, SCHEMBL891583, 2-Nonenal (ACD/Name 4.0), DTXCID3030846, NSC20746, NSC-20746, DB-310507, NS00013038, Q27274087
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 CCCCCC/C=CC=O
Heavy Atom Count 10.0
Classyfire Class Organooxygen compounds
Description Flavouring compound [Flavornet]
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 94.9
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (Z)-non-2-enal
Prediction Hob 1.0
Class Carbonyl compounds
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 3.1
Superclass Organooxygen compounds
Subclass Aldehydes
Gsk 4 400 Rule True
Molecular Formula C9H16O
Prediction Swissadme 0.0
Inchi Key BSAIUMLZVGUGKX-FPLPWBNLSA-N
Silicos It Class Soluble
Fcsp3 0.6666666666666666
Logs -4.638
Rotatable Bond Count 6.0
State Liquid
Logd 4.012
Synonyms &alpha, -nonenyl aldehyde, &beta, -hexylacrolein, FEMA 3213, (2E)nonenal, (E)-2-nonen-1-al, 2-Nonen-1-al, 2-nonenal, 2-Nonenal (acd/name 4.0), 2E-Nonen-1-al, 3-Hexyl-2-propenal, 3-Hexyl-acrolein, 3-Hexylacrolein, alpha-Nonenyl aldehyde, beta-Hexylacrolein, Heptylidene acetaldehyde, Heptylideneacetaldehyde, Non-2-(E)-enal, Non-2-enal, t-2-nonenal, trans-2-Nonealdehyde, trans-2-Nonen-1-al, trans-Non-2-enal, 2(e)-Nonenal, 2-Nonenal, (trans)-isomer, 2-Nonenal, (cis)-isomer, cis-2-Nonenal, trans-2-Nonenal, 2-Nonenal, (z)-2-nonenal, 2-nonenal,(z), cis-2-nonenal, nonenal
Substituent Name Medium-chain aldehyde, Enal, Alpha,beta-unsaturated aldehyde, Hydrocarbon derivative, Aliphatic acyclic compound
Esol Class Soluble
Functional Groups C/C=CC=O
Compound Name (Z)-non-2-enal
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 140.12
Formal Charge 0.0
Monoisotopic Mass 140.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 140.22
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -2.2979012
Inchi InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7-
Smiles CCCCCC/C=C\C=O
Nring 3.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Medium-chain aldehydes
Np Classifier Superclass Fatty acyls