1-Octen-3-ol,3,7-dimethyl- (18479-49-7)

The 3,7-Dimethyl-1-octen-3-ol with the cas number 18479-49-7 is also called 1-Octen-3-ol,3,7-dimethyl-. Both the systematic name and IUPAC name are 3,7-dimethyloct-1-en-3-ol. Its EINECS registry number is 242-358-2. The molecular formula is C₁₀H₂₀O. This chemical belongs to the following product categories: (1)Acyclic Monoterpenes; (2)Biochemistry; (3)Terpenes.

The properties of the chemical are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 202.97; (6)ACD/BCF (pH 7.4): 202.97; (7)ACD/KOC (pH 5.5): 1560.49; (8)ACD/KOC (pH 7.4): 1560.49; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 49.56 cm³; (15)Molar Volume: 186.6 cm³; (16)Polarizability: 19.64×10^-24cm³; (17)Surface Tension: 27.7 dyne/cm; (18)Enthalpy of Vaporization: 48.94 kJ/mol; (19)Vapour Pressure: 0.212 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 6-methyl-heptan-2-one and vinylmagnesium bromide. This reaction needs reagent tetrahydrofuran at Ambient temperature. The reaction time is 3.0 hours. The yield is 65%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(/C=C)(C)CCCC(C)C
(2)InChI: InChI=1/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3
(3)InChIKey: IUDWWFNDSJRYRV-UHFFFAOYAN