2,2,4-Trimethyl-3-(1-oxobutyl)-3-cyclohexen-1-one (CAS 53398-13-3) — formula C13H20O2, molecular weight 208.30; category organic chemicals.
2,2,4-Trimethyl-3-(1-oxobutyl)-3-cyclohexen-1-one is a carbon-based organic compound with CAS registry number 53398-13-3 and molecular formula C13H20O2 (molecular weight 208.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53398-13-3
Its molecular formula C13H20O2 comprises 13 C, 20 H, 2 O atoms.
Also known as: 2,2,4-Trimethyl-3-(1-oxobutyl)-3-cyclohexen-1-one · 2,2,4-三甲基-3-(1-氧代丁基)-3-环己烯-1-酮
Category: organic chemicals
The CAS registry number of 2,2,4-Trimethyl-3-(1-oxobutyl)-3-cyclohexen-1-one is 53398-13-3.
Molecular formula C13H20O2, molecular weight 208.30.
It is also registered under: 2,2,4-Trimethyl-3-(1-oxobutyl)-3-cyclohexen-1-one, 2,2,4-三甲基-3-(1-氧代丁基)-3-环己烯-1-酮.
Category: Organic Chemicals.
Public-database records for 2,2,4-Trimethyl-3-(1-oxobutyl)-3-cyclohexen-1-one (CAS 53398-13-3), reproduced here for independent cross-checking.
| CAS 号 | 53398-13-3 |
|---|---|
| PubChem CID | 21538353 |
| 分子式 | C13H20O2 |
| IUPAC 名称 | 3-butanoyl-2,2,4-trimethylcyclohex-3-en-1-one |
53398-13-3; 2,2,4-Trimethyl-3-(1-oxobutyl)-3-cyclohexen-1-one; SCHEMBL11790255; DB-302038
| 分子量 | 208.30 |
|---|---|
| XLogP3 | 1.8 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 208.146329876 |
| 单同位素质量 | 208.146329876 |
| 拓扑极性表面积 | 34.1 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
2,2,4-三甲基-3-(1-氧代丁基)-3-环己烯-1-酮 · CAS 53398-13-3 · C13H20O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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