CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to pale yellow oily liquid |
|---|---|
| Boiling Point | 123.00 °C. @ 11.00 mm Hg |
| Solubility | Insoluble in water; soluble in oils |
| Density | 0.914-0.919 |
| Refractive Index | 1.498-1.508 |
| Kovats Retention Index | 1515 1492 1490 1489 1465 1475 1482 1478 1485 1474 1483 1458 1471 1484 1472 1481 1486 1515 1457 1507 1490 1477 1477 1495 1490 1486 1481 1498 1516 1472 1485 1496 1496 1497 1477 1469 1481 1487 1497 1490 1483 1490 1469 1482 1487 1451 1479 1484 1499 1487 1488 1462 1477 1482 1498 1495 1487 1502.9 1490 1490 1489 1481 1490 1494 1487 1482 1487 1482 |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.35 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 204.187800766 g/mol |
| Monoisotopic Mass | 204.187800766 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 297 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene is a natural product found in Valeriana officinalis, Citrus, and other organisms with data available.