2-Furyl pentyl ketone
PubChem CID: 61738
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| Compound Synonyms | 2-Hexanoylfuran, 14360-50-0, 2-Furyl pentyl ketone, 1-(furan-2-yl)hexan-1-one, Pentyl 2-furyl ketone, 1-Hexanone, 1-(2-furanyl)-, 1-(2-Furyl)-1-hexanone, 1-(2-Furyl)hexanone, 2-Furyl n-pentyl ketone, 1-(2-Furanyl)-1-hexanone, FEMA No. 3418, Furan, 2-hexanoyl, 1-Hexanone, 1-(2-furyl)-, N-PENTYL 2-FURYL KETONE, EINECS 238-333-0, NSC 27361, NSC-27361, AI3-26556, 53176V524S, DTXSID1065760, PENTYL 2-FURYL KETONE [FHFI], 1-Hexanone,1-(2-furanyl)-, UNII-53176V524S, MFCD00037354, 2-Hexanoylfuran, AldrichCPR, 1-(uran-2-yl)hexan-1-one, SCHEMBL1531620, DTXCID6034681, CHEBI:195780, Pentyl 2-furyl ketone, >=98%, NSC27361, AKOS009156432, AS-76289, CS-0213378, NS00021658, G77516, Q27261035, InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H, 238-333-0 |
|---|---|
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(furan-2-yl)hexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YUAYWSBSIJVIBS-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.837 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.971 |
| Compound Name | 2-Furyl pentyl ketone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3797973333333333 |
| Inchi | InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3 |
| Smiles | CCCCCC(=O)C1=CC=CO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients