1,1,2-Trimethyl-3,5-bis(1-methylethenyl)cyclohexane
PubChem CID: 535217
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| Compound Synonyms | 1,1,2-Trimethyl-3,5-bis(1-methylethenyl)cyclohexane, 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane, 3,5-Diisopropenyl-1,1,2-trimethylcyclohexane, CHEBI:90061, JGZYEZBCFOHEEC-UHFFFAOYSA-N, DTXSID701027737, 610770-63-3, NS00096120, Q27162285, 3,5-Diisopropenyl-1,1,2-trimethylcyclohexane, (2.alpha.,3.alpha.,5.beta.)-, Cyclohexane, 1,1,2-trimethyl-3,5-bis(1-methylethenyl)-, (2.alpha.,3.alpha.,5.beta.)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C15H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGZYEZBCFOHEEC-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.839 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.972 |
| Compound Name | 1,1,2-Trimethyl-3,5-bis(1-methylethenyl)cyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8368126 |
| Inchi | InChI=1S/C15H26/c1-10(2)13-8-14(11(3)4)12(5)15(6,7)9-13/h12-14H,1,3,8-9H2,2,4-7H3 |
| Smiles | CC1C(CC(CC1(C)C)C(=C)C)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients