Rose oxide, trans-(-)-
PubChem CID: 7093102
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| Compound Synonyms | trans-Rose oxide, (-)-trans-Rose oxide, 876-18-6, Rose oxide II, Rose oxide, trans-(-)-, B19Q1KY4EC, Rose oxide, trans-(+-)-, (2R,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane, (4R,2R)-(-)-Rose oxide, 5258-11-7, (2R,4R)-rose oxide, FEMA No. 3236, trans-(-)-, ROSE OXIDE, TRANS-, FEMA No. 3236, trans-(+-)-, XF860DJU9P, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, trans-, 2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-, trans-, Trans-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2R,4R)-, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2R-trans)-, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-, (2R,4R)-, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2R,4R)-rel-, (2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran, (-)-Rose oxide, (+-)-trans-Rose oxide, UNII-XF860DJU9P, Rose oxide, II, (t)-Rose oxide, (E)-Rose oxide, trans-(-)-Rose oxide, UNII-B19Q1KY4EC, SCHEMBL309437, CHEBI:90100, CZCBTSFUTPZVKJ-ZJUUUORDSA-N, (+/-)-TRANS-ROSE OXIDE, DTXSID601017545, ROSE OXIDE, TRANS-(+/-)-, AKOS024287126, FEMA NO. 3236, TRANS-(+/-)-, Q27162311, 4-Methyl-2-(2-methyl-1-propenyl)tetrahydro-2H-pyran #, (-)-(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran, (2R,4R)-(-)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Is Pains | False |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZCBTSFUTPZVKJ-ZJUUUORDSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Rose oxide, trans-(-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5510686000000002 |
| Inchi | InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10+/m1/s1 |
| Smiles | C[C@@H]1CCO[C@H](C1)C=C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Magnolia Liliiflora (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all