Tricyclo[3.3.1.13,7]decane-2-carboxylicacid (15897-81-1)

The Adamantane-2-carboxylic acid, with CAS registry number 15897-81-1, has the systematic name of tricyclo[3.3.1.13,7]decane-1-carboxylic acid. Besides this, it is also called acide adamantane-1-carboxylique. And the chemical formula of this chemical is C₁₁H₁₆O₂.

Physical properties of Adamantane-2-carboxylic acid: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.864; (4)ACD/LogD (pH 7.4): 0.078; (5)ACD/BCF (pH 5.5): 10.284; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 114.633; (8)ACD/KOC (pH 7.4): 1.877; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 48.23 cm³; (15)Molar Volume: 146.455 cm³; (16)Polarizability: 19.12×10^-24cm³; (17)Surface Tension: 52.61 dyne/cm; (18)Enthalpy of Vaporization: 59.953 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-fluoro-adamantane-2-carbaldehyde. This reaction will need reagent Jones reagent. The yield is about 80%.

Uses of Adamantane-2-carboxylic acid: it can be used to produce 2-adamantanecarbonyl chloride. This reaction will need reagent SOCl₂. The time of this reaction is 1 hour(s). The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O
(2)InChI: InChI=1/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
(3)InChIKey: JIMXXGFJRDUSRO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
(5)Std. InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N