Benzene, (1-propyldecyl)-
PubChem CID: 20634
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| Compound Synonyms | 4-Phenyltridecane, Benzene, (1-propyldecyl)-, 4534-51-4, tridecan-4-ylbenzene, Tridecane, 4-phenyl-, DTXSID70875202, (Tridecan-4-yl)benzene, (1-Propyldecyl)benzene #, DTXCID101013324, NS00095919 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridecan-4-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 8.5 |
| Molecular Formula | C19H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZGVZPAWCGDMCK-UHFFFAOYSA-N |
| Fcsp3 | 0.6842105263157895 |
| Logs | -7.02 |
| Rotatable Bond Count | 11.0 |
| Logd | 5.364 |
| Compound Name | Benzene, (1-propyldecyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 260.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.393167210526315 |
| Inchi | InChI=1S/C19H32/c1-3-5-6-7-8-9-11-15-18(14-4-2)19-16-12-10-13-17-19/h10,12-13,16-18H,3-9,11,14-15H2,1-2H3 |
| Smiles | CCCCCCCCCC(CCC)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