(1S,2S)-1-ethenyl-1-methyl-4-propan-2-yl-2-prop-1-en-2-ylcyclohexane
PubChem CID: 25201281
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,2S)-1-ethenyl-1-methyl-4-propan-2-yl-2-prop-1-en-2-ylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C15H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGLVBDNQOXVDTC-NOYMGPGASA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.93 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.398 |
| Compound Name | (1S,2S)-1-ethenyl-1-methyl-4-propan-2-yl-2-prop-1-en-2-ylcyclohexane |
| 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 | -4.814912599999999 |
| Inchi | InChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13?,14-,15+/m0/s1 |
| Smiles | CC(C)C1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients