2-Methyldecane
PubChem CID: 23415
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| Compound Synonyms | 2-METHYLDECANE, 6975-98-0, Decane, 2-methyl-, 90622-57-4, ISOUNDECANE, Isopar G, Isopar H, Shellsol K, 2-Methyl-Decane, 67167-66-2, n-C8H17CH(CH3)2, 34464-43-2, 91572-57-5, 2-Methyldecane (>80%), Isoundecane, Isopah H, Isopar G, Dimethylnonane, Nonane, dimethyl-, Isopar-G, NSC20567, EINECS 230-236-1, EINECS 292-459-0, C11H24, NSC 20567, ISOPAR-H, DTXSID2058677, Decane, 2-methyl- (8CI)(9CI), MFCD00039994, NSC-20567, AKOS006271773, AS-30683, DB-055340, CS-0188412, NS00012711 |
|---|---|
| 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 | CCCCCCCCCC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Constituent of Angelica subspecies, Cicer arietinum (chickpea). 2-Methyldecane is found in herbs and spices and pulses. |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.4 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyldecane |
| Prediction Hob | 1.0 |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.9 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C11H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CNPVJWYWYZMPDS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -6.001 |
| Rotatable Bond Count | 7.0 |
| State | Liquid |
| Logd | 4.859 |
| Synonyms | 2-Methyl-decane, Alkanes, C10-13-iso-, Alkanes, C9-13, C10-13-Iso-alkanes, Decane, 2-methyl-, Decane, 2-methyl- (8CI)(9CI), Isoundecane, n-C8H17CH(CH3)2, C10-13-iso-Alkanes, Decane, 2-methyl- (8ci)(9ci), N-C8H17CH(CH3)2, 2-methyl decane, 2-methyl-decane, 2-methyldecane, decane,2-methyl |
| Esol Class | Moderately soluble |
| Compound Name | 2-Methyldecane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 156.31 |
| 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 | -4.0515406 |
| Inchi | InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3 |
| Smiles | CCCCCCCCC(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Branched alkanes |
| 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 Anthriscus Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1016/j.sajb.2019.07.031 - 5. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886164 - 10. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758 - 12. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.728082 - 13. Outgoing r'ship
FOUND_INto/from Hypericum Olympicum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1521 - 14. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Madhuca Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1667879 - 17. Outgoing r'ship
FOUND_INto/from Pachira Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1571950 - 18. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.703509 - 19. Outgoing r'ship
FOUND_INto/from Tetraclinis Articulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698865