4-Methylnonane
PubChem CID: 28455
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| Compound Synonyms | 4-METHYLNONANE, 17301-94-9, Nonane, 4-methyl-, 4-n-Methylnonane, EINECS 241-329-1, DTXSID60864766, 4nMethylnonane, Nonane, 4methyl, MFCD00027289, 4-Methylnonane,99%, 4-Methylnonane, (DL)-, 8K42DY4JFB, 4-Methylnonane, >=98.0%, DTXCID10813244, LMFA11000618, n-C3H7CH(CH3)(CH2)4CH3, AKOS024319141, UN32295, LS-13905, DB-043919, CS-0196860, M0283, NS00051597, T71919, Q2816676, InChI=1/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H, 241-329-1 |
|---|---|
| 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)))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.1 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylnonane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C10H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IALRSQMWHFKJJA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -5.475 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.918 |
| Synonyms | 4-methylnonane |
| Esol Class | Soluble |
| Compound Name | 4-Methylnonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.28 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.6903732 |
| Inchi | InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3 |
| Smiles | CCCCCC(C)CCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975 - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all