35124-13-1
Product Name:
(E)-4-(2,5β,6,6-Tetramethyl-2-cyclohexene-1β-yl)-3-butene-2-one
Formula:
C14H22O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1518 1519 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 206.32 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.167065321 g/mol |
| Monoisotopic Mass | 206.167065321 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 307 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- is a natural product found in Iris sibirica with data available.