Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, methyl ester (711-01-3)

The Adamantane-1-carboxylic acid methyl ester with cas registry number of 711-01-3, belongs to the following product categories: (1)Adamantane derivatives; (2)Aliphatics. It has the systematic name of methyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate. And its IUPAC name is methyl adamantane-1-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.59; (6)ACD/BCF (pH 7.4): 124.59; (7)ACD/KOC (pH 5.5): 1100.41; (8)ACD/KOC (pH 7.4): 1100.41; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 53.07 cm³; (15)Molar Volume: 171.8 cm³; (16)Polarizability: 21.03×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Enthalpy of Vaporization: 48.32 kJ/mol; (19)Vapour Pressure: 0.0277 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OC)C13CC2CC(CC(C1)C2)C3;
(2)InChI: InChI=1/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3;
(3)InChIKey: CLYOOVNORYNXMD-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3;
(5)Std. InChIKey: CLYOOVNORYNXMD-UHFFFAOYSA-N