94021-93-9

The 3-Dodecanol,7,11-dimethyl-, with the CAS registry number of 94021-93-9, is also known as 7,11-Dimethyl-3-dodecanol. Its EINECS registry number is 301-484-9. This chemical's molecular formula is C₁₄H₃₀O and molecular weight is 214.3874. What's more, its IUPAC name is 7,11-Dimethyldodecan-3-ol.

Physical properties about the 3-Dodecanol,7,11-dimethyl- are: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.64; (4)ACD/LogD (pH 7.4): 5.64; (5)ACD/BCF (pH 5.5): 11323.94; (6)ACD/BCF (pH 7.4): 11323.94; (7)ACD/KOC (pH 5.5): 27761.34; (8)ACD/KOC (pH 7.4): 27761.34; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 68.31 cm³; (15)Molar Volume: 258.2 cm³; (16)Surface Tension: 28.7 dyne/cm; (17)Density: 0.83 g/cm³; (18)Flash Point: 114.9 °C; (19)Enthalpy of Vaporization: 58.31 kJ/mol; (20)Boiling Point: 264.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00137 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(CCCC(CCCC(C)C)C)CC
(2) InChI: InChI=1/C14H30O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h12-15H,5-11H2,1-4H3
(3) InChIKey: FRUDUNOMFKEQDI-UHFFFAOYAL