Herbertene
PubChem CID: 10910593
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| Compound Synonyms | Herbertene, 1-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene, 1-methyl-3-((1S)-1,2,2-trimethylcyclopentyl)benzene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene |
| Prediction Hob | 0.0 |
| Xlogp | 5.5 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BBZBREYBGRYINI-OAHLLOKOSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.534 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.257 |
| Compound Name | Herbertene |
| 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/c1-12-7-5-8-13(11-12)15(4)10-6-9-14(15,2)3/h5,7-8,11H,6,9-10H2,1-4H3/t15-/m1/s1 |
| Smiles | CC1=CC(=CC=C1)[C@]2(CCCC2(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Source_db:cmaup_ingredients