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Tricyclo[3.3.1.13,7]decane,phenyl- (9CI) (30176-62-6)

Identification
Name:Tricyclo[3.3.1.13,7]decane,phenyl- (9CI)
Synonyms:Adamantane,phenyl- (6CI,7CI);Phenyladamantane;Phenyltricyclo[3.3.1.13,7]decane;
CAS:30176-62-6
Molecular Formula: C16H20
Molecular Weight: 212.33
InChI: InChI=1/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
Molecular Structure: (C16H20) Adamantane,phenyl- (6CI,7CI);Phenyladamantane;Phenyltricyclo[3.3.1.13,7]decane;
Properties
Density:1.07 g/cm3
Refractive index:1.585
Specification:

The CAS register number of Phenyladamantane is 30176-62-6. It also can be called as Phenyltricyclo[3.3.1.13,7]decane and the systematic name about this chemical is 1-phenyltricyclo[3.3.1.13,7]decane. The molecular formula about this chemical is C16H20 and molecular weight is 212.33.

Physical properties about Phenyladamantane are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/LogD (pH 7.4): 5.56; (5)ACD/BCF (pH 5.5): 9920.22; (6)ACD/BCF (pH 7.4): 9920.22; (7)ACD/KOC (pH 5.5): 25252.21; (8)ACD/KOC (pH 7.4): 25252.21; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 66.56 cm3; (12)Molar Volume: 198.3 cm3; (13)Polarizability: 26.38x10-24cm3; (14)Surface Tension: 45.1 dyne/cm; (15)Enthalpy of Vaporization: 52.9 kJ/mol; (16)Boiling Point: 310.2 °C at 760 mmHg; (17)Vapour Pressure: 0.00111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1C24CC3CC(CC(C2)C3)C4
(2)InChI: InChI=1/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
(3)InChIKey: XACJBFHSZJWBBP-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
(5)Std. InChIKey: XACJBFHSZJWBBP-UHFFFAOYSA-N

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