4-Isopropyldicyclohexylmethane
PubChem CID: 41262
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| Compound Synonyms | 4-Isopropyldicyclohexylmethane, 54965-61-6, Cyclohexane, 1-(cyclohexylmethyl)-4-(1-methylethyl)-, DTXSID80203496, Methane, cyclohexyl(4-isopropylcyclohexyl)-, 1-(Cyclohexylmethyl)-4-(1-methylethyl)cyclohexane, 4-Isopropyl-dicyclohexyl-methan, DTXCID80125987, 1-(Cyclohexylmethyl)-4-isopropylcyclohexane, DB-311206, 1-(Cyclohexylmethyl)-4-isopropylcyclohexane # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 7.3 |
| Molecular Formula | C16H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHWJKUKEUOFSME-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.875 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.21 |
| Compound Name | 4-Isopropyldicyclohexylmethane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 222.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.613679199999999 |
| Inchi | InChI=1S/C16H30/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h13-16H,3-12H2,1-2H3 |
| Smiles | CC(C)C1CCC(CC1)CC2CCCCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients