2049-94-7
Product Name:
ISOAMYLBENZENE
Formula:
C11H16
Synonyms:
(3-Methyl-1-butyl)benzene;Isoamylbenzene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1119 1107 1099 1100 1113 1119 1125 1107 1112.6 1118.6 1125.3 1129 1151 1128 1112 1113 1125 1112 1112 1113 1113 1113 1121 1121 1111 1107 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 148.24 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 148.125200510 g/mol |
| Monoisotopic Mass | 148.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 88.2 |
| 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
Isopentylbenzene is a natural product found in Vaccinium virgatum, Vaccinium corymbosum, and Vaccinium ashei with data available.