(+)-alpha-Santalene
PubChem CID: 12315252
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| Compound Synonyms | (+)-alpha-santalene, ent-Santalene, D-alpha-Santalene, ULF48AV46L, alpha-Santalene, (+)-, UNII-ULF48AV46L, 22527-23-7, (+)-1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)tricyclo(2.2.1.02,6)heptane, Tricyclo(2.2.1.02,6)heptane, 1,7-dimethyl-7-(4-methyl-3-penten-1-yl)-, (+)-, (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane, D-.ALPHA.-SANTALENE, (+)-.ALPHA.-SANTALENE, CHEBI:61677, KWFJIXPIFLVMPM-PEGGXJLSSA-N, (+/-)-.ALPHA.-SANTALENE, .ALPHA.-SANTALENE, (+)-, .ALPHA.-SANTALENE, (+/-)-, Q27131275, (2R,6S,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane, 1,7-DIMETHYL-7-(4-METHYL-3-PENTENYL)TRICYCLO(2.2.1.0(2,6))HEPTANE |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWFJIXPIFLVMPM-PEGGXJLSSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.719 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.842 |
| Compound Name | (+)-alpha-Santalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.191313399999999 |
| Inchi | InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11?,12-,13+,14-,15?/m1/s1 |
| Smiles | CC(=CCC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients