3-Phenyldecane
PubChem CID: 20740
Connections displayed (default: 10).
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| Compound Synonyms | 3-Phenyldecane, 4621-36-7, Benzene, (1-ethyloctyl)-, Decane, 3-phenyl-, (1-ETHYLOCTYL)BENZENE, Benzene,(1-ethyloctyl)-, (decan-3-yl)benzene, decan-3-ylbenzene, (3-Decyl)benzene, CHEBI:87601, DTXSID70874871, NS00095865, Q27159764 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decan-3-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C16H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PYVIFMPVFLOTLN-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -2.297 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.577 |
| Compound Name | 3-Phenyldecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 218.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.3534808 |
| Inchi | InChI=1S/C16H26/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3 |
| Smiles | CCCCCCCC(CC)C1=CC=CC=C1 |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients