(3R)-3-methyl-5-[(1S)-2,3,6-trimethylcyclohexa-2,5-dien-1-yl]pent-1-en-3-ol
PubChem CID: 162992021
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R)-3-methyl-5-[(1S)-2,3,6-trimethylcyclohexa-2,5-dien-1-yl]pent-1-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SUODWVXBHOBXFQ-GJZGRUSLSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.883 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.062 |
| Compound Name | (3R)-3-methyl-5-[(1S)-2,3,6-trimethylcyclohexa-2,5-dien-1-yl]pent-1-en-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5865072 |
| Inchi | InChI=1S/C15H24O/c1-6-15(5,16)10-9-14-12(3)8-7-11(2)13(14)4/h6,8,14,16H,1,7,9-10H2,2-5H3/t14-,15-/m0/s1 |
| Smiles | CC1=C([C@H](C(=CC1)C)CC[C@](C)(C=C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients