2-Isopropylcyclopentanone
PubChem CID: 11170976
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| Compound Synonyms | 2-isopropylcyclopentanone, 14845-55-7, 2-(propan-2-yl)cyclopentan-1-one, 2-Isopropyl cyclopentanone, 2-propan-2-ylcyclopentan-1-one, Cyclopentanone, 2-(1-methylethyl)-, DTXSID50457500, SCHEMBL2690883, DTXCID90408319, RKZBBVUTJFJAJR-UHFFFAOYSA-N, 2-ISOPROPYLCYCLOPENTAN-1-ONE, AKOS011896518, DB-338528, EN300-115037, F8881-2940, Z993018308 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | RKZBBVUTJFJAJR-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Compound Name | 2-Isopropylcyclopentanone |
| Description | 2-isopropylcyclopentanone is a member of the class of compounds known as cyclic ketones. Cyclic ketones are organic compounds containing a ketone that is conjugated to a cyclic moiety. 2-isopropylcyclopentanone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-isopropylcyclopentanone can be found in cornmint, which makes 2-isopropylcyclopentanone a potential biomarker for the consumption of this food product. |
| Exact Mass | 126.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.104 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propan-2-ylcyclopentan-1-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h6-7H,3-5H2,1-2H3 |
| Smiles | CC(C)C1CCCC1=O |
| Xlogp | 1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H14O |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all