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29542-62-9

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Basic Information
CAS No.: 29542-62-9
Name: 2,2'-Biadamantane
Article Data: 4
Molecular Structure:
Molecular Structure of 29542-62-9 (2,2'-Biadamantane)
Formula: C20H30
Molecular Weight: 270.458
Synonyms: 2,2'-Biadamantane(8CI);2,2'-Biadamantyl;
Density: 1.07 g/cm3
Boiling Point: 371.8 °C at 760 mmHg
Flash Point: 160.1 °C
PSA: 0.00000
LogP: 5.13100
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Specification

The CAS registry number of 2,2'-Bitricyclo[3.3.1.13,7]decane is 29542-62-9. This chemical is also known as 2,2'-Biadamantane. Its molecular formula is C20H30 and molecular weight is 270.4522. Its IUPAC name is called 2-(2-adamantyl)adamantane.

Physical properties of 2,2'-Bitricyclo[3.3.1.13,7]decane are: (1)ACD/LogP: 7.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.61; (4)ACD/LogD (pH 7.4): 7.61; (5)ACD/BCF (pH 5.5): 357739.13; (6)ACD/BCF (pH 7.4): 357739.13; (7)ACD/KOC (pH 5.5): 328712.44; (8)ACD/KOC (pH 7.4): 328712.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 82.48 cm3; (14)Molar Volume: 252.5 cm3; (15)Surface Tension: 41.7 dyne/cm; (16)Density: 1.07 g/cm3; (17)Flash Point: 160.1 °C; (18)Enthalpy of Vaporization: 59.46 kJ/mol; (19)Boiling Point: 371.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C6CC2CC(CC1C2C5C3CC4CC(C3)CC5C4)C6
(2)InChI: InChI=1/C20H30/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
(3)InChIKey: FFLXOPFAPWKULC-UHFFFAOYAF