(+)-Iridodial lactol
PubChem CID: 442438
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| Compound Synonyms | (+)-iridodial lactol, (1R,4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol, (1R,4aS,7S,7aR)-nepetalactol, CHEBI:26, (+)-cis-trans-nepetalactol, SCHEMBL24228255, DTXSID101133756, (1R)-(+)-cis,trans-nepetalactol, LMPR0102070017, 183071-73-0, Q27105199, Cyclopenta[c]pyran-1-ol, 1,4a,5,6,7,7a-hexahydro-4,7-dimethyl-, (1I+/-,4aI+/-,7I+/-,7aI+/-)- |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJGPEAXUHQRLNC-JZKKDOLYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.401 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.575 |
| Compound Name | (+)-Iridodial lactol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0800631999999997 |
| Inchi | InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8+,9+,10+/m0/s1 |
| Smiles | C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Colchicum Autumnale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Iris Domestica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mosla Grosseserrata (Plant) Rel Props:Source_db:cmaup_ingredients