2-Methylpentadecane
PubChem CID: 15267
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| Compound Synonyms | 2-METHYLPENTADECANE, Isohexadecane, 1560-93-6, Pentadecane, 2-methyl-, 60908-77-2, 04R9AW5KWV, 2-methyl-pentadecane, UNII-04R9AW5KWV, NSC 109495, NSC-109495, DTXSID70166026, Oristar ihd, Purolon ihd, Aec isohexadecane, Ritacane IH, Creasil ih CG, NSC109495, Pentadecane, 2methyl, Isohexadecane [INCI], UNII-918X1OUF1E, 918X1OUF1E, Pentadecane, 2-methyl-(8CI), DTXCID8088517, CHEBI:183308, MFCD00015079, Pentadecane, 2-methyl-(8CI)(9CI), 2,2,4,4,6,6,8 Heptamethylnonane, SY273021, NS00120312, G85567 |
|---|---|
| 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 | CCCCCCCCCCCCCCC)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpentadecane |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BANXPJUEBPWEOT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -7.06 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.0 |
| Synonyms | 2-methylpentadecane |
| Esol Class | Moderately soluble |
| Compound Name | 2-Methylpentadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 226.44 |
| 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 | -5.863677599999999 |
| Inchi | InChI=1S/C16H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h16H,4-15H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCC(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700383 - 2. Outgoing r'ship
FOUND_INto/from Lycopus Lucidus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all