79-68-5
Product Name:
4-(2,2,3-trimethyl-6-methylenecyclohexyl)-3-buten-2-one
Formula:
C14H22O
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 206.32 g/mol |
---|---|
XLogP3 | 3.5 |
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 | 297 |
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
gamma-Irone is a natural product found in Iris sibirica with data available.