1-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone (CAS 53398-16-6) — formula C13H22O2, molecular weight 210.31; category organic chemicals.
| CAS Number | 53398-16-6 |
|---|---|
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.31 |
| LogP | 2.1 |
| Category | Organic Chemicals |
1-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone is a carbon-based organic compound with CAS registry number 53398-16-6 and molecular formula C13H22O2 (molecular weight 210.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53398-16-6
Its molecular formula C13H22O2 comprises 13 C, 22 H, 2 O atoms.
Also known as: 1-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone · 1-(5-羟基-2,6,6-三甲基-1-环己烯-1-基)-1-丁酮
Category: organic chemicals
The CAS registry number of 1-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone is 53398-16-6.
Molecular formula C13H22O2, molecular weight 210.31.
It is also registered under: 1-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone, 1-(5-羟基-2,6,6-三甲基-1-环己烯-1-基)-1-丁酮.
Category: Organic Chemicals.
Independent reference data for 1-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone (CAS 53398-16-6), compiled from public chemistry databases.
| CAS 号 | 53398-16-6 |
|---|---|
| PubChem CID | 21538355 |
| 分子式 | C13H22O2 |
| IUPAC 名称 | 1-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one |
| Molecular Weight | 210.31 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 210.161979940 |
| Monoisotopic Mass | 210.161979940 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 15 |
53398-16-6; SCHEMBL11786893; 1-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone; DB-290819; 1-[5hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-butanone
1-(5-羟基-2,6,6-三甲基-1-环己烯-1-基)-1-丁酮 · CAS 53398-16-6 · C13H22O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.