Dihydromyrcene, (-)-
PubChem CID: 10997105
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| Compound Synonyms | (-)-Dihydromyrcene, 10281-56-8, R-Citronellene, (-)-beta-Citronellene, Dihydromyrcene, (-)-, (3R)-3,7-DIMETHYLOCTA-1,6-DIENE, (R)-3,7-Dimethyl-1,6-octadiene, (-)-(R)-beta-Citronellene, 1,6-Octadiene, 3,7-dimethyl-, (3R)-, 18B648YA2C, DTXSID0058726, (R)-3,7-Dimethylocta-1,6-diene, (-)-(R)-.BETA.-CITRONELLENE, UNII-18B648YA2C, (-)-citronellene, (-)-?-Citronellene, (-)-.beta.-Citronellene, DTXCID70820176, R(-)3,7-Dimethyl-1,6-octadiene, FC161704, 3,7-Dimethyl-1,6-octadiene, (3R)- #, NS00114102, Q27251992, (-)-beta-Citronellene, technical, >=90% (sum of enantiomers, GC), 629-287-6 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,7-dimethylocta-1,6-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUDNBFMOXDUIIE-JTQLQIEISA-N |
| Fcsp3 | 0.6 |
| Logs | -4.568 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.362 |
| Compound Name | Dihydromyrcene, (-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0539747999999998 |
| Inchi | InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m0/s1 |
| Smiles | C[C@H](CCC=C(C)C)C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients