14287-60-6
Product Name:
ACETIC ACID 4-ACETOXY-3,6-DIOXO-5-UNDECYL-CYCLOHEXA-1,4-DIENYL ESTER
Formula:
C21H30O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 378.5 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 378.20423867 g/mol |
| Monoisotopic Mass | 378.20423867 g/mol |
| Topological Polar Surface Area | 86.7 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 627 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester is a natural product found in Embelia schimperi with data available.