1-Pentanol, 2-propyl-
PubChem CID: 123543
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| Compound Synonyms | 2-Propyl-1-pentanol, 58175-57-8, 2-propylpentan-1-ol, 1-Pentanol, 2-propyl-, 2-Propylpentanol, 2-n-propyl-1-pentanol, BRN 1697442, DTXSID0074716, MFCD00010260, SCHEMBL282622, 2-Propyl-1-pentanol, 99%, DTXCID4042333, AKOS009156914, AS-40657, CS-0204896, NS00022417, EN300-1826222, 611-630-6 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 46.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propylpentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LASHFHLFDRTERB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.419 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.905 |
| Compound Name | 1-Pentanol, 2-propyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 130.229 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9995322 |
| Inchi | InChI=1S/C8H18O/c1-3-5-8(7-9)6-4-2/h8-9H,3-7H2,1-2H3 |
| Smiles | CCCC(CCC)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients