2-Methylbut-2-en-1-ol, (2Z)-
PubChem CID: 5366266
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| Compound Synonyms | (Z)-2-Methyl-2-buten-1-ol, (Z)-2-Methyl-2-butenol, 2-Buten-1-ol, 2-methyl-, (Z)-, cis-2-Methyl-2-buten-1-ol, 2-Methylbut-2-en-1-ol, (2Z)-, 19319-26-7, UNII-204DWM50MS, 204DWM50MS, 2-Buten-1-ol, 2-methyl-, (2Z)-, 2-Buten-1-ol, 2-methyl-, 2-Methyl-2-butenol, 2-methylbut-2-en-1-ol, 2-Methyl-but-2-ene-1-ol, Angelic alcohol, (Z)-2-methylbut-2-en-1-ol, Q27253421 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2-methylbut-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C5H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NEJDKFPXHQRVMV-HYXAFXHYSA-N |
| Fcsp3 | 0.6 |
| Logs | 0.033 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.651 |
| Compound Name | 2-Methylbut-2-en-1-ol, (2Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 86.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.9632307999999998 |
| Inchi | InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3- |
| Smiles | C/C=C(/C)\CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients