(E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-3-ene-1,2-diol
PubChem CID: 101448003
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | RDBBOGWMVIILJJ-QPJJXVBHSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | (E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-3-ene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-3-ene-1,2-diol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 0.0 |
| Esol | -2.553401 |
| Inchi | InChI=1S/C15H24O2/c1-11-12-5-6-13(9-12)15(11,3)8-4-7-14(2,17)10-16/h4,7,12-13,16-17H,1,5-6,8-10H2,2-3H3/b7-4+ |
| Smiles | CC1(C2CCC(C2)C1=C)C/C=C/C(C)(CO)O |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C15H24O2 |
- 1. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients