2-Methylundecane
PubChem CID: 23459
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Methylundecane, ISODODECANE, 7045-71-8, Undecane, 2-methyl-, 31807-55-3, H40FL8477B, EINECS 230-323-4, DTXSID50873241, 2 2 4 6 6-PENTAMETHYLHEPTANE, 2-Methylhendecane, isodo-decane, UNII-H40FL8477B, Undecane, 2methyl, MFCD00036106, 2-METHYL UNDECANE, DTXCID5021590, CHEBI:229354, HAA04571, AKOS015912736, FP171453, M0239, NS00007977, Q2813826, Isododecane, Fancol ID, Hyfrane 120, Permethyl 99, Permethyl 99A, Purolan IDD, 230-323-4 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylundecane |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C12H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GTJOHISYCKPIMT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.421 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.902 |
| Compound Name | 2-Methylundecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 170.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.419008 |
| Inchi | InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3 |
| Smiles | CCCCCCCCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients