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Basic Information
CAS No.: 3732-31-8
Name: 1,1'-DIADAMANTYL
Article Data: 41
Molecular Structure:
Molecular Structure of 3732-31-8 (1,1'-DIADAMANTYL)
Formula: C20H30
Molecular Weight: 270.458
Synonyms: 1,1-Biadamantane;1,1'-BIADAMANTANE;1,1'-DIADAMANTYL;
Density: 1.117 g/cm3
Melting Point: 296℃
Boiling Point: 359.9 °C at 760 mmHg
Flash Point: 154.9 °C
PSA: 0.00000
LogP: 5.41920
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Specification

The 1-(1-Adamantyl)adamantane is an organic compound with the formula C20H30. The IUPAC name of this chemical is 1-(1-adamantyl)adamantane. With the CAS registry number 3732-31-8, it is also named as 1,1'-Biadamantane. The product's category is Adamantane Derivatives.

Physical properties about 1-(1-Adamantyl)adamantane are: (1)ACD/LogP: 7.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.58; (4)ACD/LogD (pH 7.4): 7.58; (5)ACD/BCF (pH 5.5): 341780.44; (6)ACD/BCF (pH 7.4): 341780.44; (7)ACD/KOC (pH 5.5): 318148.41; (8)ACD/KOC (pH 7.4): 318148.41; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.595; (11)Molar Refractivity: 82.28 cm3; (12)Molar Volume: 242 cm3; (13)Polarizability: 32.62×10-24cm3; (14)Surface Tension: 51.3 dyne/cm; (15)Density: 1.117 g/cm3; (16)Flash Point: 154.9 °C; (17)Enthalpy of Vaporization: 58.16 kJ/mol; (18)Boiling Point: 359.9 °C at 760 mmHg; (19)Vapour Pressure: 4.79E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C3CC2(CC(CC1C2)C3)C46CC5CC(C4)CC(C5)C6
(2)InChI: InChI=1/C20H30/c1-13-2-15-3-14(1)8-19(7-13,9-15)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
(3)InChIKey: MPXKIFWZOQVOLN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C20H30/c1-13-2-15-3-14(1)8-19(7-13,9-15)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
(5)Std. InChIKey: MPXKIFWZOQVOLN-UHFFFAOYSA-N