The 3,7-Octadiene-2,6-diol, 2,6-dimethyl-, (3E)-, with the CAS registry number 51276-34-7, is also known as Octa-3,7-diene-2,6-diol, 2,6-dimethyl-, trans-. This chemical's molecular formula is C10H18O2 and molecular weight is 170.25. What's more, its systematic name is (3E)-2,6-dimethylocta-3,7-diene-2,6-diol.
Physical properties of 3,7-Octadiene-2,6-diol, 2,6-dimethyl-, (3E)- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.61; (6)ACD/BCF (pH 7.4): 3.61; (7)ACD/KOC (pH 5.5): 87.22; (8)ACD/KOC (pH 7.4): 87.22; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 51.16 cm3; (15)Molar Volume: 177.4 cm3; (16)Polarizability: 20.28×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.959 g/cm3; (19)Flash Point: 130.5 °C; (20)Enthalpy of Vaporization: 60.69 kJ/mol; (21)Boiling Point: 284 °C at 760 mmHg; (22)Vapour Pressure: 0.000354 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(/C=C/CC(O)(/C=C)C)(C)C
(2)InChI: InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
(3)InChIKey: QEOHJVNDENHRCH-VOTSOKGWSA-N
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