Cyclohexene, 1-isopentyl-
PubChem CID: 520965
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| Compound Synonyms | 1-Isoamylcyclohexene-1, Cyclohexene, 1-isopentyl-, 1-Isopentyl-1-cyclohexene #, QATQACDSNXQUEE-UHFFFAOYSA-N, cyclohexene, 1-(3-methylbutyl)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3-methylbutyl)cyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C11H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QATQACDSNXQUEE-UHFFFAOYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -4.66 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.399 |
| Compound Name | Cyclohexene, 1-isopentyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 152.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2006422 |
| Inchi | InChI=1S/C11H20/c1-10(2)8-9-11-6-4-3-5-7-11/h6,10H,3-5,7-9H2,1-2H3 |
| Smiles | CC(C)CCC1=CCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients