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Tetracyclo[6.1.0.02,4.05,7]nonane,3,3,6,6,9,9-hexamethyl-, (1α,2α,4α,5β,7β,8α)- (9CI)

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Tetracyclo[6.1.0.02,4.05,7]nonane,3,3,6,6,9,9-hexamethyl-, (1α,2α,4α,5β,7β,8α)- (9CI)

EINECS N/A
CAS No. 51898-92-1 Density 0.937 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C15H24 Boiling Point 227.1 °C at 760 mmHg
Molecular Weight 204.356 Flash Point 83.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51898-92-1 (3,3,6,6,9,9-hexamethyltetracyclo[6.1.0.0~2,4~.0~5,7~]nonane) Hazard Symbols N/A
Synonyms

Hexamethyl-cis,trans-trihomobenzene;Tetracyclo[6.1.0.0(2,4).0(5,7)]nonane, 3, 3, 6, 6, 9, 9-hexamethyl-, cis, cis, trans--;

Article Data 4

Tetracyclo[6.1.0.02,4.05,7]nonane,3,3,6,6,9,9-hexamethyl-, (1α,2α,4α,5β,7β,8α)- (9CI) Specification

The Tetracyclo[6.1.0.02,4.05,7]nonane, 3, 3, 6, 6, 9, 9-hexamethyl-, (1α, 2α, 4α, 5β, 7β, 8α)- (9CI), with the CAS registry number 51898-92-1, is also known as Tetracyclo[6.1.0.0(2, 4).0(5, 7)]nonane, 3, 3, 6, 6, 9, 9-hexamethyl-, cis, cis, trans--. This chemical's molecular formula is C15H24 and molecular weight is 204.3511. What's more, its systematic name is 3, 3, 6, 6, 9, 9-hexamethyltetracyclo[6.1.0.02,4.05,7]nonane.

Physical properties about Tetracyclo[6.1.0.02,4.05,7]nonane, 3, 3, 6, 6, 9, 9-hexamethyl-, (1α, 2α, 4α, 5β, 7β, 8α)- (9CI) are: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23174.21; (6)ACD/BCF (pH 7.4): 23174.21; (7)ACD/KOC (pH 5.5): 46350.68; (8)ACD/KOC (pH 7.4): 46350.68; (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: 1.495; (14)Molar Refractivity: 63.62 cm3; (15)Molar Volume: 217.9 cm3; (16)Polarizability: 25.22×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.937 g/cm3; (19)Flash Point: 83.4 °C; (20)Enthalpy of Vaporization: 44.48 kJ/mol; (21)Boiling Point: 227.1 °C at 760 mmHg; (22)Vapour Pressure: 0.118 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C13C(C1C2C(C2C4C3C4(C)C)(C)C)(C)C
(2) InChI: InChI=1/C15H24/c1-13(2)7-8(13)10-12(15(10,5)6)11-9(7)14(11,3)4/h7-12H,1-6H3
(3) InChIKey: JJDXPPCRRNQMNJ-UHFFFAOYAS

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