1-Nonene
PubChem CID: 31285
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| Compound Synonyms | 1-NONENE, 124-11-8, non-1-ene, n-Non-1-ene, NONYLENE, alpha-Nonene, NONENE, Propylene trimer, Nonene, 1-, Nonene-(1), 1-N-None, UNII-YPK83LUD6G, YPK83LUD6G, NSC 73961, HSDB 1081, EINECS 204-681-7, MFCD00009568, NSC-73961, 1-N-NONENE, DTXSID2059562, FEMA NO. 4651, CHEBI:77443, Alkenes, C6-12 alpha-, NSC73961, EINECS 271-212-0, EINECS 272-491-1, N-HEPTYLETHYLENE, 1-NONYLENE, .ALPHA.-NONENE, 1-Nonene, 96%, 1-NONENE [HSDB], NCIOpen2_000424, 1-Nonene, analytical standard, DTXCID3033806, LMFA11000323, AKOS009157987, 1-C9H18, 31387-92-5, FN162107, DB-041765, N0295, N0613, NS00020969, D91747, EC 271-212-0, Q15687205, 204-681-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCC=C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Description | Isolated from peaches and beef. 1-Nonene is found in animal foods and fruits. |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | non-1-ene |
| Prediction Hob | 1.0 |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.2 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRZJOMJEPLMPRA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7777777777777778 |
| Logs | -4.756 |
| Rotatable Bond Count | 6.0 |
| State | Liquid |
| Logd | 3.933 |
| Synonyms | a-Nonene, Alpha-nonene, Ichthyotherol, n-Non-1-ene, non-1-ene, Nonene, Nonene-(1), Nonylene, Propylene trimer, α-nonene, alpha-Nonene, N-Non-1-ene, Α-nonene, Non-1-ene, 1-nonene, nonene,1- |
| Esol Class | Soluble |
| Functional Groups | C=CC |
| Compound Name | 1-Nonene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.24 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.4712066000000004 |
| Inchi | InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3 |
| Smiles | CCCCCCCC=C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Unsaturated aliphatic hydrocarbons |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Armata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
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