(3S,6R)-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
PubChem CID: 102233554
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 380.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,6R)-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H23ClO |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOBRYTSETJXBTL-DOMZBBRYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -1.957 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.628 |
| Compound Name | (3S,6R)-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.144 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.144 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 254.79 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7381661999999998 |
| Inchi | InChI=1S/C15H23ClO/c1-10-5-6-15(9-13(10)16)11(2)7-12(17)8-14(15,3)4/h12,17H,2,5-9H2,1,3-4H3/t12-,15+/m1/s1 |
| Smiles | CC1=C(C[C@@]2(CC1)C(=C)C[C@H](CC2(C)C)O)Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cymbidium Aloifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Delphinium Dictyocarpum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Helleborus Odorus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Juniperus Serawschanica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ladeania Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ligularia Atroviolacea (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Peucedanum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Scutellaria Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Trifolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients