cis-Linalool oxide, carbamate
PubChem CID: 91752909
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| Compound Synonyms | cis-Linalool oxide, carbamate, FMWFOHCSIFNDTM-KWQFWETISA-N |
|---|---|
| Topological Polar Surface Area | 61.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yl carbamate |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C11H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FMWFOHCSIFNDTM-KWQFWETISA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -2.489 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.236 |
| Compound Name | cis-Linalool oxide, carbamate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 213.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 213.136 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 213.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8954173999999995 |
| Inchi | InChI=1S/C11H19NO3/c1-5-11(4)7-6-8(14-11)10(2,3)15-9(12)13/h5,8H,1,6-7H2,2-4H3,(H2,12,13)/t8-,11-/m0/s1 |
| Smiles | C[C@@]1(CC[C@H](O1)C(C)(C)OC(=O)N)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Craibiodendron Yunnanese (Plant) Rel Props:Source_db:cmaup_ingredients