2-[3-[(3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propylidene]propane-1,3-diol
PubChem CID: 101690791
Connections displayed (default: 10).
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | BPKXTDIRERUUAY-WRHSUISWSA-N |
| Fcsp3 | 0.8666666666666667 |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | 2-[3-[(3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propylidene]propane-1,3-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 | 342.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[3-[(3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propylidene]propane-1,3-diol |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -2.682701 |
| Inchi | InChI=1S/C15H24O2/c1-14(5-3-4-10(8-16)9-17)11-6-12-13(7-11)15(12,14)2/h4,11-13,16-17H,3,5-9H2,1-2H3/t11?,12?,13?,14-,15?/m1/s1 |
| Smiles | C[C@]1(C2CC3C1(C3C2)C)CCC=C(CO)CO |
| Xlogp | 2.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24O2 |
- 1. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients