1,5-Diphenyl-3-(3-cyclopentylpropyl)pentane
PubChem CID: 278083
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| Compound Synonyms | 1,5-Diphenyl-3-(3-cyclopentylpropyl)pentane, 55191-62-3, DTXSID50298975, Benzene, 1,1'-[3-(3-cyclopentylpropyl)-1,5-pentanediyl]bis-, Benzene, 1,1'-(3-(3-cyclopentylpropyl)-1,5-pentanediyl)bis-, NSC127197, 3-(3-Cyclopentylpropyl)-1,5-diphenylpentane, DTXCID30250112, NSC-127197, 6-cyclopentyl-3-phenethyl-1-phenyl-hexane, DB-261662, [6-Cyclopentyl-3-(2-phenylethyl)hexyl]benzene #, Benzene,1'-[3-(3-cyclopentylpropyl)-1,5-pentanediyl]bis- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-cyclopentyl-3-(2-phenylethyl)hexyl]benzene |
| Prediction Hob | 0.0 |
| Xlogp | 9.3 |
| Molecular Formula | C25H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DKTMVKAAXZLUFB-UHFFFAOYSA-N |
| Fcsp3 | 0.52 |
| Logs | -7.111 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.491 |
| Compound Name | 1,5-Diphenyl-3-(3-cyclopentylpropyl)pentane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 334.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.4683914 |
| Inchi | InChI=1S/C25H34/c1-3-10-23(11-4-1)18-20-25(17-9-16-22-14-7-8-15-22)21-19-24-12-5-2-6-13-24/h1-6,10-13,22,25H,7-9,14-21H2 |
| Smiles | C1CCC(C1)CCCC(CCC2=CC=CC=C2)CCC3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients