6-Phenyldodecane
PubChem CID: 17629
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| Compound Synonyms | 6-PHENYLDODECANE, Benzene, (1-pentylheptyl)-, 2719-62-2, dodecan-6-ylbenzene, Dodecane, 6-phenyl-, (1-Pentylheptyl)benzene, (dodecan-6-yl)benzene, alpha-pentylheptylbenzene, EINECS 220-325-3, CHEBI:77516, DTXSID70875106, Benzene, (1pentylheptyl), (1-Pentylheptyl)benzene #, DTXCID101013229, AKOS028108392, AS-58674, NS00008712, A10866, Q27147103, 220-325-3 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecan-6-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 7.9 |
| Molecular Formula | C18H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZYHJQFMTTFCBKH-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.951 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.383 |
| Compound Name | 6-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 | -6.000882266666666 |
| Inchi | InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3 |
| Smiles | CCCCCCC(CCCCC)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients