4,7-dimethyl-5-decyne-4,7-diol 4,7-dimethyl-5-decyn-4,7-diol
structural formula
| business number | 03ke |
|---|---|
| molecular formula | c12h22o2 |
| molecular weight | 198.31 |
| label |
aliphatic compounds |
numbering system
cas number:126-87-4
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 58.64
2. molar volume (m3/mol）：205.0
3. isotonic specific volume (90.2k): 511.3
4. surface tension (dyne/cm):38.6
5. polarizability（10-24cm3):23.25
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.9
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 6
5. number of tautomers: none
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 213
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 2
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none