85665-92-5

The 1-Butyltetralin-1-ol, with the CAS registry number 85665-92-5, is also known as Butyl-1,2,3,4-tetrahydro-1-naphthol. Its EINECS registry number is 288-183-5. This chemical's molecular formula is C₁₄H₂₀O and molecular weight is 204.308. What's more, both its IUPAC name and systematic name are the same which is called 1-Butyl-3,4-dihydro-2H-naphthalen-1-ol.

Physical properties about 1-Butyltetralin-1-ol are: (1) ACD/LogP: 4.19; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.19; (4) ACD/LogD (pH 7.4): 4.19; (5) ACD/BCF (pH 5.5): 897.17; (6) ACD/BCF (pH 7.4): 897.17; (7) ACD/KOC (pH 5.5): 4521.34; (8) ACD/KOC (pH 7.4): 4521.34; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 9.23 Å²; (13) Index of Refraction: 1.536; (14) Molar Refractivity: 63.12 cm³; (15) Molar Volume: 202.2 cm³; (16) Surface Tension: 39.8 dyne/cm; (17) Density: 1.01 g/cm³; (18) Flash Point: 127.2 °C; (19) Enthalpy of Vaporization: 59.13 kJ/mol; (20) Boiling Point: 318.6 °C at 760 mmHg; (21) Vapour Pressure: 0.000149 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC2(c1ccccc1CCC2)CCCC
(2) InChI: InChI=1/C14H20O/c1-2-3-10-14(15)11-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,15H,2-3,6,8,10-11H2,1H3
(3) InChIKey: DEPHQOGHQQLGNM-UHFFFAOYAL