71048-82-3
Product Name:
[1alpha(E),2beta]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
Formula:
C13H20O
Synonyms:
δ-Damascone;1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 192.30 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.151415257 g/mol |
| Monoisotopic Mass | 192.151415257 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 271 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |