Nonane
PubChem CID: 8141
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| Compound Synonyms | NONANE, n-Nonane, 111-84-2, Nonyl hydride, Shellsol 140, nonan, Iotrochotin, CCRIS 6081, HSDB 107, Lodyne S, EINECS 203-913-4, UNII-T9W3VH6G10, NSC 72430, T9W3VH6G10, DTXSID9025796, CHEBI:32892, Lodyne S 100, NSC-72430, 66039-00-7, NONANE-5-C12, DTXCID005796, EC 203-913-4, MFCD00009574, Heptane, ethyl-, Nonane, analytical standard, 144637-82-1, CH3-(CH2)7-CH3, CH3-[CH2]7-CH3, CAS-111-84-2, Nonanes, Nonane, NSC 72430, Nonane-5-C12, Shellsol 140, n-Nonane, n-C9H20, DD9, n-Nonane 10 microg/mL in Cyclohexane, n-Nonane 1000 microg/mL in Methanol, Nonane, 99%, NONANE [HSDB], NONANE MFC9 H20, Nonane, anhydrous, >=99%, CHEMBL335900, Nonane, ReagentPlus(R), 99%, NSC72430, Tox21_201479, Tox21_303148, LMFA11000579, AKOS015904046, HY-W539866, UN 1920, NCGC00091787-01, NCGC00091787-02, NCGC00257029-01, NCGC00259030-01, LS-13716, DB-041010, DB-063623, N0286, NS00007716, S0281, G77327, A802420, Q150694, C8F3CAB9-DAF5-4085-84EB-07C0AB04D3A1, InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H, 203-913-4, 61193-19-9 |
|---|---|
| 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 | CCCCCCCCC |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Present in numerous plant oils including olive oils Nonane is a linear alkane hydrocarbon with the chemical formula C9H20. Nonane has 35 structural isomers. Nonane is found in many foods, some of which are fats and oils, sweet bay, pepper (spice), and common oregano. |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 33.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16473 |
| Iupac Name | nonane |
| Prediction Hob | 1.0 |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Target Id | NPT210 |
| Xlogp | 4.5 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKIMMITUMNQMOS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -5.205 |
| Rotatable Bond Count | 6.0 |
| State | Liquid |
| Logd | 4.286 |
| Synonyms | CH3-[CH2]7-CH3, N-nonane, Nonan, N-Nonane, Nonane, n-nonane, nonane, nonane, n, nonane,n |
| Esol Class | Soluble |
| Compound Name | Nonane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 128.25 |
| 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 | -3.7987058000000005 |
| Inchi | InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 |
| Smiles | CCCCCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkanes |
| Np Classifier Superclass | Fatty acyls |
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