2-Phenyldodecane
PubChem CID: 17628
Connections displayed (default: 10).
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| Compound Synonyms | 2-PHENYLDODECANE, Benzene, (1-methylundecyl)-, 2719-61-1, dodecan-2-ylbenzene, Dodecane, 2-phenyl-, Benzene,(1-methylundecyl)-, (Dodecan-2-yl)benzene, DTXSID50875104, 2-phenyl dodecane, (1-Methylundecyl)benzene, Benzene, (1methylundecyl), (1-Methylundecyl)benzene #, DTXCID701013227, NS00095867 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecan-2-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 7.9 |
| Molecular Formula | C18H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRPRIAVYSREHAN-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.905 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.021 |
| Compound Name | 2-Phenyldodecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 246.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.114282266666667 |
| Inchi | InChI=1S/C18H30/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3 |
| Smiles | CCCCCCCCCCC(C)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Panax Innovans (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Panax Papyrifer (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Panax Pseudoginseng (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Panax Schinseng (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Panax Sikkimensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Panax Spinosus (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Panax Stipuleanatus (Plant) Rel Props:Reference: