3-Butan-2-yloxypropan-1-ol
PubChem CID: 13449957
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| Compound Synonyms | SCHEMBL222917, AKOS005292555 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-butan-2-yloxypropan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Is Pains | False |
| Molecular Formula | C7H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOCNNFWFNNLLAV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 3-Butan-2-yloxypropan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.115 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 132.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 132.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0100585999999998 |
| Inchi | InChI=1S/C7H16O2/c1-3-7(2)9-6-4-5-8/h7-8H,3-6H2,1-2H3 |
| Smiles | CCC(C)OCCCO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chlorophytum Malayense (Plant) Rel Props:Source_db:cmaup_ingredients