structural formula
| business number | 03kv |
|---|---|
| molecular formula | c14h22o |
| molecular weight | 206.32 |
| label |
(1e)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-penten-3-one, 5-(2,6,6-trimethyl-1-cyclohexenyl)-4-penten-3-one, alicyclic compounds |
numbering system
cas number:127-43-5
mdl number:mfcd00019412
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
1. molar refractive index: 66.33
2. molar volume (cm3/mol): 220.1
3. isotonic specific volume (90.2k ): 530.4
4. surface tension (dyne/cm): 33.7
5. polarizability (10-24cm3): 26.29
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): 3.4
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecular polar surface area (tpsa): 17.1
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 305
10. number of isotope atoms : 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the chemical bond configuration number of centers: 1
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
