4,6,6-Trimethyl-5-(1-oxobutyl)-3-cyclohexen-1-one (CAS 53398-12-2) — formula C13H20O2, molecular weight 208.30; category organic chemicals.
| CAS Number | 53398-12-2 |
|---|---|
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.30 |
| LogP | 1.8 |
| Category | Organic Chemicals |
4,6,6-Trimethyl-5-(1-oxobutyl)-3-cyclohexen-1-one is a carbon-based organic compound with CAS registry number 53398-12-2 and molecular formula C13H20O2 (molecular weight 208.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53398-12-2
Its molecular formula C13H20O2 comprises 13 C, 20 H, 2 O atoms.
Also known as: 4,6,6-Trimethyl-5-(1-oxobutyl)-3-cyclohexen-1-one · 4,6,6-三甲基-5-(1-氧代丁基)-3-环己烯-1-酮
Category: organic chemicals
The CAS registry number of 4,6,6-Trimethyl-5-(1-oxobutyl)-3-cyclohexen-1-one is 53398-12-2.
Molecular formula C13H20O2, molecular weight 208.30.
It is also registered under: 4,6,6-Trimethyl-5-(1-oxobutyl)-3-cyclohexen-1-one, 4,6,6-三甲基-5-(1-氧代丁基)-3-环己烯-1-酮.
Category: Organic Chemicals.
Independent reference data for 4,6,6-Trimethyl-5-(1-oxobutyl)-3-cyclohexen-1-one (CAS 53398-12-2), compiled from public chemistry databases.
| CAS 号 | 53398-12-2 |
|---|---|
| PubChem CID | 21538356 |
| 分子式 | C13H20O2 |
| IUPAC 名称 | 5-butanoyl-4,6,6-trimethylcyclohex-3-en-1-one |
| Molecular Weight | 208.30 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 208.146329876 |
| Monoisotopic Mass | 208.146329876 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 15 |
4,6,6-Trimethyl-5-(1-oxobutyl)-3-cyclohexen-1-one; SCHEMBL11785999; DB-305272; 53398-12-2
4,6,6-三甲基-5-(1-氧代丁基)-3-环己烯-1-酮 · CAS 53398-12-2 · C13H20O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.