2,3-Dimethylbutan-1-ol
PubChem CID: 29656
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| Compound Synonyms | 2,3-Dimethylbutan-1-ol, 19550-30-2, 2,3-DIMETHYL-1-BUTANOL, 1-Butanol, 2,3-dimethyl-, 2,3-DIMETHYLBUTANOL, EINECS 243-153-0, 20281-85-0, SXSWMAUXEHKFGX-UHFFFAOYSA-, DTXSID60941324, 79956-98-2, 2,3-methylbutanol, 2-isopropyl-propanol, SCHEMBL22857, 1-Butanol, 2,3-dimethyl-,, DTXCID10881943, AKOS013349577, 54206-54-1, AS-78544, 1-Butanol, 2,3-dimethyl-, (.+/-.)-, NS00046754, D93394, EN300-140254, 243-153-0 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 41.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethylbutan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXSWMAUXEHKFGX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.767 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.293 |
| Compound Name | 2,3-Dimethylbutan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3935974 |
| Inchi | InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3 |
| Smiles | CC(C)C(C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients