Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
PubChem CID: 142890
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| Compound Synonyms | 51898-92-1, Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-, DTXSID10199853, 3,3,6,6,9,9-hexamethyltetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyltetracyclo[6.1.0.02,4.05,7]nonane, DTXCID70122344, JJDXPPCRRNQMNJ-UHFFFAOYSA-N, Tetracyclo[6.1.0.0(2,4).0(5,7)]nonane, 3,3,6,6,9,9-hexamethyl-, cis,cis,trans--, Tetracyclo[6.1.0.0(2,4).0(5,7)]nonane,3,3,6,6,9,9-hexamethyl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,7.beta.,8.alpha.)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,6,6,9,9-hexamethyltetracyclo[6.1.0.02,4.05,7]nonane |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJDXPPCRRNQMNJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.812 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.69 |
| Compound Name | Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8979133999999993 |
| Inchi | InChI=1S/C15H24/c1-13(2)7-8(13)10-12(15(10,5)6)11-9(7)14(11,3)4/h7-12H,1-6H3 |
| Smiles | CC1(C2C1C3C(C3(C)C)C4C2C4(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients