2-Methyl-1-butanol, (+)-
PubChem CID: 637572
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| Compound Synonyms | 616-16-0, (R)-2-METHYLBUTANOL, (+)-2-Methyl-1-butanol, (2R)-2-methylbutan-1-ol, (R)-2-methylbutan-1-ol, 2-Methyl-1-butanol, (+)-, (+)-(R)-2-Methyl-1-butanol, 2-Methyl-1-butanol (+)-form [MI], 1O91KQ00JS, 2R-Methylbutan-1-ol, DTXSID901044400, UNII-1O91KQ00JS, MFCD00067263, (2R)-2-Methyl-1-butanol, CHEBI:50624, QPRQEDXDYOZYLA-RXMQYKEDSA-N, DTXCID601526631, LMFA05000102, AKOS006274108, FM29573, 2-METHYL-1-BUTANOL (+)-FORM, EN300-218251, Q27122154, 612-181-9 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 27.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-methylbutan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C5H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPRQEDXDYOZYLA-RXMQYKEDSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.22 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.087 |
| Compound Name | 2-Methyl-1-butanol, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 88.0888 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0888 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 88.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.06723 |
| Inchi | InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1 |
| Smiles | CC[C@@H](C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients