4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol (CAS 31162-45-5) — formula C13H20O2, molecular weight 208.30; category organic chemicals.
| CAS Number | 31162-45-5 |
|---|---|
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.30 |
| LogP | 1.4 |
| Category | Organic Chemicals |
4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol is a carbon-based organic compound with CAS registry number 31162-45-5 and molecular formula C13H20O2 (molecular weight 208.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31162-45-5
Its molecular formula C13H20O2 comprises 13 C, 20 H, 2 O atoms.
Also known as: 4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol · 4-(3-羟基丁炔-1-基)-3,5,5-三甲基环己-3-烯-1-醇
Category: organic chemicals
The CAS registry number of 4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol is 31162-45-5.
Molecular formula C13H20O2, molecular weight 208.30.
It is also registered under: 4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol, 4-(3-羟基丁炔-1-基)-3,5,5-三甲基环己-3-烯-1-醇.
Category: Organic Chemicals.
Independent reference data for 4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol (CAS 31162-45-5), compiled from public chemistry databases.
| CAS 号 | 31162-45-5 |
|---|---|
| PubChem CID | 3015541 |
| 分子式 | C13H20O2 |
| IUPAC 名称 | 4-(3-hydroxybut-1-ynyl)-3,5,5-trimethylcyclohex-3-en-1-ol |
| UNII（FDA） | NS00050666 |
| Molecular Weight | 208.30 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 208.146329876 |
| Monoisotopic Mass | 208.146329876 |
| Topological Polar Surface Area | 40.5 |
| Heavy Atom Count | 15 |
31162-45-5; EINECS 250-494-9; 4-(3-Hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol; 3-hydroxy-7,8-didehydro-.beta.-ionol; 5-Megastigmen-7-yne-3,9-diol; SCHEMBL9793387; DTXSID10953250; 4-(3-HYDROXYBUT-1-YN-1-YL)-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL; NS00050666; 4-(4-hydroxy-2,6,6-trimethylcyclohex-1-enyl)but-3-yn-2-ol
4-(3-羟基丁炔-1-基)-3,5,5-三甲基环己-3-烯-1-醇 · CAS 31162-45-5 · C13H20O2. UNII NS00050666.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.