(R)-(-)-2-Pentanol
PubChem CID: 7014876
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| Compound Synonyms | (R)-(-)-2-Pentanol, 31087-44-2, (2R)-pentan-2-ol, (R)-2-pentanol, 2-Pentanol, (2R)-, MFCD00065953, 2-Pentanol #, (r)-pentan-2-ol, (2R)-2-pentanol, BDBM36159, DTXSID001339054, (R)-(-)-2-Pentanol, 98%, RB3003, AKOS015839993, (R)-(-)-2-Pentanol, >/=98%, P0744, A832689, Q24953060, (R)-(-)-2-Pentanol, purum, >=98.0% (sum of enantiomers, GC), 2RP |
|---|---|
| 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)-pentan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C5H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYVLIDXNZAXMDK-RXMQYKEDSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.696 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.199 |
| Compound Name | (R)-(-)-2-Pentanol |
| 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 | -1.0042299999999997 |
| Inchi | InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1 |
| Smiles | CCC[C@@H](C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients