4-Methyl-2-propylpentan-1-ol
PubChem CID: 103862
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| Compound Synonyms | 4-Methyl-2-propylpentan-1-ol, 4-Methyl-2-propyl-1-pentanol, 1-Pentanol, 4-methyl-2-propyl-, EINECS 258-914-2, 54004-41-0, DTXSID20968830, 1Pentanol, 4methyl2propyl, SCHEMBL12059090, 4-Methyl-2-propyl-1-pentanol #, DTXCID301396398, AKOS015401800, NS00056563, 258-914-2 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-2-propylpentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IGSWOIOCVJEQRH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.828 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.528 |
| Compound Name | 4-Methyl-2-propylpentan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2439996 |
| Inchi | InChI=1S/C9H20O/c1-4-5-9(7-10)6-8(2)3/h8-10H,4-7H2,1-3H3 |
| Smiles | CCCC(CC(C)C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients