2-Butanol, (+)-
PubChem CID: 444683
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| Compound Synonyms | (S)-(+)-2-butanol, 4221-99-2, (2S)-butan-2-ol, (S)-Butan-2-ol, (S)-2-butanol, (s)-(+)-sec-butanol, (S)-sec-butanol, 2-Butanol, (+)-, 2-Butanol, (2S)-, (2S)-2-butanol, (+)-2-Butanol, 69KXU5NDTO, (S)-(+)-sec-Butyl alcohol, D-BUTANOL, (s)-sec-butyl alcohol, EINECS 224-168-1, MFCD00064281, BUTYL ALCOHOL D-FORM [MI], UNII-69KXU5NDTO, s-(+)-2-butanol, (1S)-1-methylpropanol, (5)-(+)-sec-butanol, BUTYL ALCOHOL D-FORM, BDBM36155, CHEBI:45475, (S)-(+)-2-Butanol, 98%, (S)-(+)-2-Butanol, 99%, AKOS006240738, AKOS015840315, FB60189, B0925, NS00083119, EN300-115210, A839532, 9062E4B9-CAE4-41E2-A8BE-CF13BE627AD8, Q27104553, (S)-(+)-2-Butanol, ChiPros(R), produced by BASF, 99% |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 19.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-butan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C4H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTANRVKWQNVYAZ-BYPYZUCNSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.518 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.792 |
| Compound Name | 2-Butanol, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 74.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 74.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 74.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6178625999999998 |
| Inchi | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1 |
| Smiles | CC[C@H](C)O |
| 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 Arctium Lappa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Elsholtzia Splendens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients