1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene
PubChem CID: 519346
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| Compound Synonyms | 1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene, Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-, DTXSID60864726, DB-064755 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-(1,2,2-trimethylcyclopentyl)benzene |
| Prediction Hob | 0.0 |
| Xlogp | 5.5 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLKPBCXNFNIJSV-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -6.131 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.657 |
| Compound Name | 1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7706142 |
| Inchi | InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3 |
| Smiles | CC1=CC=C(C=C1)C2(CCCC2(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients