2,6,10-Trimethylpentadecane
PubChem CID: 19775
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| Compound Synonyms | 2,6,10-TRIMETHYLPENTADECANE, 3892-00-0, Norpristane, Pentadecane, 2,6,10-trimethyl-, 8A641H3BNB, 2,6,10-trimethyl-pentadecane, DTXSID90873301, Nor-pristane, UNII-8A641H3BNB, Pentadecane, 2,6,10trimethyl, 2,6,10-Trimethylpentadecane #, DTXCID40820800, CHEBI:183307, NS00096081 |
|---|---|
| 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)))))C)))))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10-trimethylpentadecane |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H38 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LBWPYRZGHYVSEL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.156 |
| Rotatable Bond Count | 12.0 |
| Logd | 6.345 |
| Synonyms | 2,6,10-trimethylpentadecane, pentadecane, 2,6,10-trimethyl |
| Esol Class | Poorly soluble |
| Compound Name | 2,6,10-Trimethylpentadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.297 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 254.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.3589123999999995 |
| Inchi | InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3 |
| Smiles | CCCCCC(C)CCCC(C)CCCC(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 Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 3. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 4. Outgoing r'ship
FOUND_INto/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.890081