5-NORBORNENE-2-CARBOXYLIC-1'-METHYLCYCLOHEXYL ESTER

The CAS register number of Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methylcyclohexyl ester is 279243-78-6. It also can be called as 5-Norbornene-2-carboxylic-1'-methylcyclohexyl ester and the systematic name about this chemical is 1-methylcyclohexyl bicyclo[2.2.1]hept-5-ene-2-carboxylate. The molecular formula about this chemical is C₁₅H₂₂O₂ and the molecular weight is 234.33398. It belongs to the following product category which includes Norbornene Derivatives.

Physical properties about Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methylcyclohexyl ester are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1163; (6)ACD/BCF (pH 7.4): 1163; (7)ACD/KOC (pH 5.5): 5444; (8)ACD/KOC (pH 7.4): 5444; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 67.081 cm³; (14)Molar Volume: 218.516 cm³; (15)Polarizability: 26.593x10^-24cm³; (16)Surface Tension: 38.881 dyne/cm; (17)Density: 1.072 g/cm³; (18)Flash Point: 133.203 °C; (19)Enthalpy of Vaporization: 54.933 kJ/mol; (20)Boiling Point: 308.639 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1(C)CCCCC1)C3CC2/C=C\C3C2
(2)InChI: InChI=1/C15H22O2/c1-15(7-3-2-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3
(3)InChIKey: HUDHSZARDMJQOQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C15H22O2/c1-15(7-3-2-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3
(5)Std. InChIKey: HUDHSZARDMJQOQ-UHFFFAOYSA-N