1-Methyladamantane
PubChem CID: 136607
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Methyladamantane, 768-91-2, 1-methyl adamantane, CHEBI:39004, DTXSID80227617, methyladamantane, 5-methyl-adamantane, MFCD00216215, DTXCID30150108, UZUCFTVAWGRMTQ-DTIDVZRVSA-N, ALBB-013702, STL426848, AKOS003369039, AKOS006345764, FM25466, (3R,5S,7S)-1-METHYLADAMANTANE, 1-methyltricyclo[3.3.1.1~3,7~]decane, DB-003018, CS-0061414, Tricyclo[3.3.1.1~3,7~]decane, 1-methyl-, W17233, Q27118091, 1-Methyl-tricyclo[3.3.1.13,7]decane, 1-Methyl-adamantane, 973-745-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1C2CC3CC1CC(C2)C3 |
| Deep Smiles | CCCCCCC6)CCC8)C6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1C2CC3CC1CC(C2)C3 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyladamantane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18 |
| Scaffold Graph Node Bond Level | C1C2CC3CC1CC(C2)C3 |
| Inchi Key | UZUCFTVAWGRMTQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-methyladamantane |
| Esol Class | Soluble |
| Compound Name | 1-Methyladamantane |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3 |
| Smiles | CC12CC3CC(C1)CC(C3)C2 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644038 - 2. Outgoing r'ship
FOUND_INto/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1119659