CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Vapor Pressure | 61.5 [mmHg] |
| Kovats Retention Index | 673.9 666.92 667.66 672.2 669.2 670.16 670.26 676 670.56 670.6 671 675.8 676.5 676.9 672 669 675.9 676.6 675.8 674 677 675.5 679.3 682.3 678 677 678 678 676 676 676 675.7 676.1 676.4 676.9 674 675 675 676 676 676 676.8 676.8 676 669 676 676 676 672 677.32 677.95 678.51 679.09 679.75 676 677 677 677 683 676 672 674 678 672.2 677 673.5 677 676 673.8 676.4 668.04 672 676 672.5 674 675.2 677 668.5 675 676 676 677 676 665 672 674 676 676 675 676 677 673 683 683 664 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 100.20 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.125200510 g/mol |
| Monoisotopic Mass | 100.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 31 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-methylhexane is an alkane that is hexane substituted by a methyl group at position 3. It has a role as a human metabolite. It is an alkane and a volatile organic compound.