1-(3-Cyclopentylpropyl)-2,4-dimethylbenzene
PubChem CID: 576612
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| Compound Synonyms | 1-(3-Cyclopentylpropyl)-2,4-dimethylbenzene, 54815-16-6, Benzene, 1-(3-cyclopentylpropyl)-2,4-dimethyl-, URGRLTXFYHIKLH-UHFFFAOYSA-N, DB-310955, 1-(3-Cyclopentylpropyl)-2,4-dimethylbenzene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3-cyclopentylpropyl)-2,4-dimethylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C16H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URGRLTXFYHIKLH-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -6.522 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.748 |
| Compound Name | 1-(3-Cyclopentylpropyl)-2,4-dimethylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 216.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.737281599999999 |
| Inchi | InChI=1S/C16H24/c1-13-10-11-16(14(2)12-13)9-5-8-15-6-3-4-7-15/h10-12,15H,3-9H2,1-2H3 |
| Smiles | CC1=CC(=C(C=C1)CCCC2CCCC2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients