(R)-(+)-citronellic acid
PubChem CID: 6999957
Connections displayed (default: 10).
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| Compound Synonyms | (R)-(+)-Citronellic acid, 18951-85-4, (3R)-3,7-dimethyloct-6-enoic acid, (r)-citronellic acid, (R)-3,7-Dimethyloct-6-enoic acid, 6-Octenoic acid, 3,7-dimethyl-, (3R)-, MFCD00075195, CHEBI:144576, DTXSID50426458, (R)-3,7-dimethyl-6-octenoic acid, (+)-citronellic acid, (R)-Citronellate, (+)-Citronellate, SCHEMBL712982, (R)-3,7-Dimethyl-6-octenoate, DTXCID30377292, (3R)-3,7-Dimethyl-6-octenoate, (R)-3,7-Dimethyloct-6-enoicacid, (R)-(+)-Citronellic acid, 98%, (3R)-3,7-dimethyl-6-octenoic acid, AKOS025294799, BS-42160, (R)-(+)-3,7-dimethyloct-6-enoic acid, CS-0142271, W19706, EN300-7831692, Z1255486488, 627-267-1 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,7-dimethyloct-6-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GJWSUKYXUMVMGX-SECBINFHSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.729 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.176 |
| Compound Name | (R)-(+)-citronellic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4681624 |
| Inchi | InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/t9-/m1/s1 |
| Smiles | C[C@H](CCC=C(C)C)CC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Beaucarnea Recurvata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Centaurea Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cotylelobium Scabriusculum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cratystylis Conocephala (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Diospyros Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Diospyros Elliptifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Diospyros Peregrina (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Gutenbergia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Mikania Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Phyllodium Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Scorzonera Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Trapa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:cmaup_ingredients