Basic information
- Name:
2,2-Dimethylhex-5-en-1-ol
- CAS No.:
56068-50-9
- Molecular Structure:
- Formula:
- C8H16O
- Molecular Weight:
- 128.212
- Density:
- 0.837g/cm3
- Boiling Point:
- 175.177 °C at 760 mmHg
- Flash Point:
- 65.37 °C
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Specification
The 2,2-Dimethylhex-5-en-1-ol, with CAS registry number 56068-50-9, has the systematic name of 2,2-dimethylhex-5-en-1-ol. Besides this, it is also called 5-hexen-1-ol, 2,2-dimethyl-. It molecular weight is 128.212. And the chemical formula of this chemical is C8H16O.
Physical properties of 2,2-Dimethylhex-5-en-1-ol: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 27; (6)ACD/BCF (pH 7.4): 27; (7)ACD/KOC (pH 5.5): 372; (8)ACD/KOC (pH 7.4): 372; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 40.338 cm3; (15)Molar Volume: 153.237 cm3; (16)Polarizability: 15.991×10-24cm3; (17)Surface Tension: 27.609 dyne/cm; (18)Density: 0.837 g/cm3; (19)Flash Point: 65.37 °C; (20)Enthalpy of Vaporization: 47.908 kJ/mol; (21)Boiling Point: 175.177 °C at 760 mmHg; (22)Vapour Pressure: 0.359 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(C)(C)CC\C=C
(2)InChI: InChI=1/C8H16O/c1-4-5-6-8(2,3)7-9/h4,9H,1,5-7H2,2-3H3
(3)InChIKey: WIYYDFSDWKBPIX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H16O/c1-4-5-6-8(2,3)7-9/h4,9H,1,5-7H2,2-3H3
(5)Std. InChIKey: WIYYDFSDWKBPIX-UHFFFAOYSA-N
