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Name |
1,9-Heptadecadiene-4,6-diyne-3,8-diol,(3R,8S,9Z)- |
EINECS | N/A |
CAS No. | 225110-25-8 | Density | 1 g/cm3 |
PSA | 40.46000 | LogP | 2.81770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H24O2 | Boiling Point | 408.2 °C at 760 mmHg |
Molecular Weight | 260.376 | Flash Point | 184.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(+)-(3R,8S)-Falcarindiol;(3R),(8S)-Falcarindiol;3(R),8(S),9(Z)-Falcarindiol; |
Article Data | 4 |
The 1,9-Heptadecadiene-4,6-diyne-3,8-diol,(3R,8S,9Z)-, with the CAS registry number 225110-25-8, is also known as Heptadeca-1,9-diene-4,6-diyne-3,8-diol. This chemical's molecular formula is C17H24O2 and molecular weight is 260.3713. What's more, its systematic name is called (3R,8S,9Z)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol.
Physical properties about 1,9-Heptadecadiene-4,6-diyne-3,8-diol,(3R,8S,9Z)- are: (1)ACD/LogP: 6.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.32; (4)ACD/LogD (pH 7.4): 6.32; (5)ACD/BCF (pH 5.5): 37275.83; (6)ACD/BCF (pH 7.4): 37273.21; (7)ACD/KOC (pH 5.5): 65134.46; (8)ACD/KOC (pH 7.4): 65129.88; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 79.58 cm3; (15)Molar Volume: 260.2 cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1 g/cm3; (18)Flash Point: 184.8 °C; (19)Enthalpy of Vaporization: 76.29 kJ/mol; (20)Boiling Point: 408.2 °C at 760 mmHg; (21)Vapour Pressure: 2.29E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H](C#CC#C[C@@H](O)\C=C/CCCCCCC)\C=C
(2) InChI: InChI=1/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
(3) InChIKey: QWCNQXNAFCBLLV-YWALDVPYBU