3,4,5-Trimethyl-2-cyclopenten-1-one
PubChem CID: 41520
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| Compound Synonyms | 3,4,5-TRIMETHYL-2-CYCLOPENTEN-1-ONE, 3,4,5-trimethylcyclopent-2-en-1-one, 55683-21-1, 2-Cyclopenten-1-one, 3,4,5-trimethyl-, SCHEMBL6895210, SCHEMBL20962958, DTXSID20971041, CHEBI:229311, LPBXNOSWWUFYQN-UHFFFAOYSA-N, 3,4,5-Trimethylcyclopent-2-enone, 3,4,5-Trimethyl-2-cyclopenten-1-one # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5-trimethylcyclopent-2-en-1-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Is Pains | False |
| Molecular Formula | C8H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LPBXNOSWWUFYQN-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3,4,5-Trimethyl-2-cyclopenten-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 124.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 124.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4604345999999997 |
| Inchi | InChI=1S/C8H12O/c1-5-4-8(9)7(3)6(5)2/h4,6-7H,1-3H3 |
| Smiles | CC1C(C(=O)C=C1C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients