(E)-4-(2,5β,6,6-Tetramethyl-2-cyclohexene-1β-yl)-3-butene-2-one (CAS 35124-13-1) — formula C14H22O, molecular weight 206.32; category organic chemicals.
| CAS Number | 35124-13-1 |
|---|---|
| Molecular Formula | C14H22O |
| Molecular Weight | 206.32 |
| LogP | 3.2 |
| Category | Organic Chemicals |
(E)-4-(2,5β,6,6-Tetramethyl-2-cyclohexene-1β-yl)-3-butene-2-one is a carbon-based organic compound with CAS registry number 35124-13-1 and molecular formula C14H22O (molecular weight 206.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 35124-13-1
Its molecular formula C14H22O comprises 14 C, 22 H, 1 O atoms.
Also known as: (E)-4-(2,5β,6,6-Tetramethyl-2-cyclohexene-1β-yl)-3-butene-2-one · (E)-4-(2,5β,6,6-四甲基-2-环己烯-1β-基)-3-丁烯-2-酮
Category: organic chemicals
The CAS registry number of (E)-4-(2,5β,6,6-Tetramethyl-2-cyclohexene-1β-yl)-3-butene-2-one is 35124-13-1.
Molecular formula C14H22O, molecular weight 206.32.
It is also registered under: (E)-4-(2,5β,6,6-Tetramethyl-2-cyclohexene-1β-yl)-3-butene-2-one, (E)-4-(2,5β,6,6-四甲基-2-环己烯-1β-基)-3-丁烯-2-酮.
Category: Organic Chemicals.
Independent reference data for (E)-4-(2,5β,6,6-Tetramethyl-2-cyclohexene-1β-yl)-3-butene-2-one (CAS 35124-13-1), compiled from public chemistry databases.
| CAS 号 | 35124-13-1 |
|---|---|
| PubChem CID | 5281521 |
| 分子式 | C14H22O |
| IUPAC 名称 | (E)-4-[(1S,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one |
| UNII（FDA） | 6T95KCB4J7 |
| Molecular Weight | 206.32 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.167065321 |
| Monoisotopic Mass | 206.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 15 |
(+)-cis-alpha-Irone; cis-(+)-alpha-Irone; D-cis-alpha-Irone [MI]; alpha-Irone, cis-(+)-; UNII-6T95KCB4J7; 35124-13-1; 6T95KCB4J7; 3-Buten-2-one, 4-((1S,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-; (+)-CIS-.ALPHA.-IRONE; CIS-(+)-.ALPHA.-IRONE; D-CIS-.ALPHA.-IRONE [MI]; .ALPHA.-IRONE, CIS-(+)-; RefChem:199478; D-CIS-ALPHA-IRONE; .alpha.-Irone; (E)-4-[(1S,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one
(E)-4-(2,5β,6,6-四甲基-2-环己烯-1β-基)-3-丁烯-2-酮 · CAS 35124-13-1 · C14H22O. UNII 6T95KCB4J7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.