87818-31-3
Product Name:
Cinmethylin
Formula:
C18H26O2
Synonyms:
exo-1-Methyl-4-(1-methylethyl)-2-[(2- methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H332:Acute toxicity,inhalation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 274.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 274.193280068 g/mol |
| Monoisotopic Mass | 274.193280068 g/mol |
| Topological Polar Surface Area | 18.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 353 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Exo-(+)-cinmethylin is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin. It is an enantiomer of an exo-(-)-cinmethylin.