VALENERAL (CAS 4176-16-3) — formula C15H22O, molecular weight 218.33; category organic chemicals.
| CAS Number | 4176-16-3 |
|---|---|
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 |
| LogP | 3.2 |
| Category | Organic Chemicals |
VALENERAL is a carbon-based organic compound with CAS registry number 4176-16-3 and molecular formula C15H22O (molecular weight 218.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4176-16-3
Its molecular formula C15H22O comprises 15 C, 22 H, 1 O atoms.
Also known as: VALENERAL · 缬草醛
Category: organic chemicals
The CAS registry number of VALENERAL is 4176-16-3.
Molecular formula C15H22O, molecular weight 218.33.
It is also registered under: VALENERAL, 缬草醛.
Category: Organic Chemicals.
Independent reference data for VALENERAL (CAS 4176-16-3), compiled from public chemistry databases.
| CAS 号 | 4176-16-3 |
|---|---|
| PubChem CID | 6440942 |
| 分子式 | C15H22O |
| IUPAC 名称 | (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal |
| Molecular Weight | 218.33 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 218.167065321 |
| Monoisotopic Mass | 218.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 16 |
Valerenal; 4176-16-3; (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal; DTXSID201318686; (E)-3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enal; RefChem:933898; DTXCID601748487; 2-Propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))-; SCHEMBL399594; orb3179594; CHEBI:166676; LMPR0103040001; (2E)-3-[(4S,7R,7aR)-3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enalato
缬草醛 · CAS 4176-16-3 · C15H22O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 缬草醛