Cyclohexene, 4-methyl-1-(1-methylethyl)-, (R)-
PubChem CID: 23616903
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| Compound Synonyms | Cyclohexene, 4-methyl-1-(1-methylethyl)-, (R)-, (+)-3-Menthene, 619-52-3, p-Menth-3-ene, (R)-(+)-, (r)-p-menth-3-ene, p-Menth-3-ene, (+)-, Cyclohexene, 4-methyl-1-(1-methylethyl)-, (4R)-, DTXSID70876133, YYCPSEFQLGXPCO-VIFPVBQESA-N, DV9E266R88, 1-Isopropyl-4-methyl-1-cyclohexene, (R)-, (4R)-4-Methyl-1-(1-methylethyl)cyclohexene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-4-methyl-1-propan-2-ylcyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYCPSEFQLGXPCO-VIFPVBQESA-N |
| Fcsp3 | 0.8 |
| Logs | -4.254 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.309 |
| Compound Name | Cyclohexene, 4-methyl-1-(1-methylethyl)-, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7668748 |
| Inchi | InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1 |
| Smiles | C[C@@H]1CCC(=CC1)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients