3-Methylpentadecan-2-one
PubChem CID: 20648314
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| Compound Synonyms | 3-Methylpentadecan-2-one, 3-methylpentadecanone, SCHEMBL13819798, CHEBI:179364, LMFA12000183, AKOS012706408 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylpentadecan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C16H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHERYIXJQJIISS-UHFFFAOYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -6.171 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.516 |
| Compound Name | 3-Methylpentadecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 240.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7974722 |
| Inchi | InChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17/h15H,4-14H2,1-3H3 |
| Smiles | CCCCCCCCCCCCC(C)C(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients