1,3-Dimethyladamantane
PubChem CID: 12800
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| Compound Synonyms | 1,3-DIMETHYLADAMANTANE, 702-79-4, Adamantane, 1,3-dimethyl-, 1-3-Dimethyladamantane, 1,3-dimethyl adamantane, MFCD00074755, 1,3-dimethyltricyclo[3.3.1.13,7]decane, 96G4OD5Z59, 1,3-Dimethyltricyclo(3.3.1.13,7)decane, DTXSID1049439, CHEBI:47900, 1,3-dimethyltricyclo[3.3.1.1(3,7)]decane, Tricyclo[3.3.1.1(3,7)]decane, 1,3-dimethyl-, 1,3-dimethyltricyclo(3.3.1.1(3,7))decane, UNII-96G4OD5Z59, 1,3-Dimethyladamantane, Memantine Related Compound A (USP), Memantine Related Compound A, EINECS 211-870-8, Memantine intermediate, 1,3-Dimethyladamanta, 1,3-dimethyAdamantane, 1,5-Dimethyladamantane, DTXCID0029399, 1,3-Dimethyladamantane, >=99%, BCP17452, BBL100109, STL452978, AKOS015900608, AKOS025211682, FD06228, Adamantane,1,3-dimethyl- (6CI,8CI), AC-14485, LS-14122, MS-20570, DB-005636, CS-0152705, D1081, NS00037033, 1,3-dimethyltricyclo[3.3.1.1~3,7~]decane, A11638, EN300-103625, Tricyclo[3.3.1.13,7]decane,1,3-dimethyl-, Tricyclo[3.3.1.1<3,7>]decane, 1,3-dimethyl-, Q27120846, Z1365497409 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethyladamantane |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C12H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWNOIUTVJRWADX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.139 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.174 |
| Compound Name | 1,3-Dimethyladamantane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 164.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7692103999999995 |
| Inchi | InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3 |
| Smiles | CC12CC3CC(C1)CC(C3)(C2)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients