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1687-36-1

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Basic Information
CAS No.: 1687-36-1
Name: 1,3,5,7-Tetrmethyl-adamantane
Article Data: 6
Molecular Structure:
Molecular Structure of 1687-36-1 (1,3,5,7-Tetrmethyl-adamantane)
Formula: C14H24
Molecular Weight: 192.345
Synonyms: 1,3,5,7-Tetramethyl-adamantane;
Density: 0.969 g/cm3
Melting Point: 65.0-66.5 °C
Boiling Point: 216.4 °C at 760 mmHg
Flash Point: 77.3 °C
PSA: 0.00000
LogP: 4.39300
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Specification

The Tricyclo[3.3.1.13,7]decane,1,3,5,7-tetramethyl-, with the CAS registry number of 1687-36-1, is also known as 1,3,5,7-Tetramethyl-adamantane. Its molecular formula is C14H24 and molecular weight is 192.340360. What's more, its IUPAC name is 1,3,5,7-Tetramethyladamantane.

Physical properties about the Tricyclo[3.3.1.13,7]decane,1,3,5,7-tetramethyl- are: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27226.05; (6)ACD/BCF (pH 7.4): 27226.05; (7)ACD/KOC (pH 5.5): 52017.2; (8)ACD/KOC (pH 7.4): 52017.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 60.65 cm3; (15)Molar Volume: 198.4 cm3; (16)Surface Tension: 42.7 dyne/cm; (17)Density: 0.969 g/cm3; (18)Flash Point: 77.3 °C; (19)Enthalpy of Vaporization: 43.43 kJ/mol; (20)Boiling Point: 216.4 °C at 760 mmHg; (21)Vapour Pressure: 0.206 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C3(CC2(CC(CC1(C2)C)(C)C3)C)C
(2) InChI: InChI=1/C14H24/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12/h5-10H2,1-4H3
(3) InChIKey: UJSORZVCMMYGBS-UHFFFAOYAC