(1R,3R,6S,7S,8R,10S)-6,10-dimethyl-3-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol
PubChem CID: 145972328
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| Compound Synonyms | CHEMBL4215733 |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,3R,6S,7S,8R,10S)-6,10-dimethyl-3-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PBNBKBMAPWXHFR-TVDPOAAXSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.164 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.154 |
| Compound Name | (1R,3R,6S,7S,8R,10S)-6,10-dimethyl-3-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.299501 |
| Inchi | InChI=1S/C15H24O2/c1-9(2)12-6-5-10(3)15-13(16)7-11(4)14(15,8-12)17-15/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,14+,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@H](C[C@@]23[C@@]1(O2)[C@@H](C[C@@H]3C)O)C(=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients