2-Methylnonane
PubChem CID: 13379
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| Compound Synonyms | 2-METHYLNONANE, 871-83-0, Nonane, 2-methyl-, 2 - methylnonane, Octane, dimethyl-, 382AKH052V, NSC-24849, C9-11 Isoparaffin, 63335-88-6, ISODECANE, EINECS 271-365-3, iso-decane, UNII-382AKH052V, 34464-38-5, 2-methyl-nonane, EINECS 212-814-5, EINECS 252-052-0, MFCD00027321, NSC 24849, C10-13 Isoparaffin, UNII-UQ7SPY0IRF, UQ7SPY0IRF, METHYLNONANE, 2-, 2-Methylnonane, NSC 24849, DTXSID80873239, NSC24849, EINECS 271-366-9, BBL103998, LMFA11000615, STL557809, 2-Methylnonane, >=99.0% (GC), AKOS015841666, LS-13906, DB-056979, M0281, NS00010711, D91304, Q2813818, InChI=1/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H |
|---|---|
| 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 | 55.1 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-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 | SGVYKUFIHHTIFL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -5.546 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.809 |
| Synonyms | 2-methylnonan, 2-methylnonane |
| Esol Class | Soluble |
| Compound Name | 2-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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.6903732 |
| Inchi | InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3 |
| Smiles | CCCCCCCC(C)C |
| 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 Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758 - 5. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699192 - 6. Outgoing r'ship
FOUND_INto/from Jasminum Sambac (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700356 - 7. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167