Cyclopentanone, 2-(3-hexen-1-yl)-
PubChem CID: 6437472
Connections displayed (default: 10).
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| Compound Synonyms | Hasmigone, 2-(Hex-3-enyl)cyclopentan-1-one, 2-(3-Hexenyl)cyclopentanone, EINECS 268-701-6, Cyclopentanone, 2-(3-hexenyl)-, Cyclopentanone, 2-(3-hexen-1-yl)-, DTXSID30867481, SCHEMBL25299927, DTXCID10815667, RCJIQNYPBKOVOC-ONEGZZNKSA-N, (E)-2-(hex-3-enyl)cyclopentanone, 2-(2-HEXENYL)-CYCLOPENTANONE, AKOS006274812, (E)-2-(hex-3-en-1-yl)cyclopentan-1-one, 268-701-6 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(E)-hex-3-enyl]cyclopentan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C11H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCJIQNYPBKOVOC-ONEGZZNKSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -3.111 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.654 |
| Compound Name | Cyclopentanone, 2-(3-hexen-1-yl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2196368 |
| Inchi | InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h3-4,10H,2,5-9H2,1H3/b4-3+ |
| Smiles | CC/C=C/CCC1CCCC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients