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Tricyclo[3.3.1.13,7]decane,2,2-dimethyl-

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Name

Tricyclo[3.3.1.13,7]decane,2,2-dimethyl-

EINECS N/A
CAS No. 19740-34-2 Density 0.923g/cm3
PSA 0.00000 LogP 3.46870
Solubility N/A Melting Point N/A
Formula C12H20 Boiling Point 208.5 °C at 760 mmHg
Molecular Weight 164.291 Flash Point 66.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 19740-34-2 (NISTC19740342) Hazard Symbols N/A
Synonyms

2,2-Dimethyltricyclo(3.3.1.1(3,7))decane;

Article Data 12

Tricyclo[3.3.1.13,7]decane,2,2-dimethyl- Specification

The Tricyclo[3.3.1.13,7]decane,2,2-dimethyl-, with the CAS registry number of 19740-34-2, is also known as 2,2-Dimethyltricyclo(3.3.1.1(3,7))decane. Its molecular formula is C12H20 and molecular weight is 164.287200. What's more, its IUPAC name is 2,2-Dimethyladamantane.

Physical properties about the Tricyclo[3.3.1.13,7]decane,2,2-dimethyl- are: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5804.05; (6)ACD/BCF (pH 7.4): 5804.05; (7)ACD/KOC (pH 5.5): 17205.65; (8)ACD/KOC (pH 7.4): 17205.65; (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: 1.491; (14)Molar Refractivity: 51.54 cm3; (15)Molar Volume: 177.8 cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 0.923 g/cm3; (18)Flash Point: 66.9 °C; (19)Enthalpy of Vaporization: 42.66 kJ/mol; (20)Boiling Point: 208.5 °C at 760 mmHg; (21)Vapour Pressure: 0.308 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C3CC2CC(CC1C2(C)C)C3
(2) InChI: InChI=1/C12H20/c1-12(2)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,3-7H2,1-2H3
(3) InChIKey: KOLCSQBNCFAWAM-UHFFFAOYAJ

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