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402480-06-2

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Basic Information
CAS No.: 402480-06-2
Name: 2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane
Molecular Structure:
Molecular Structure of 402480-06-2 (2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane)
Formula: C10H19IO2
Molecular Weight: 298.16
Synonyms: 2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane
Density: 1.378 g/cm3
Boiling Point: 295.1 °C at 760 mmHg
Flash Point: 132.3 °C
PSA: 18.46000
LogP: 2.99080
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Specification

This chemical is called 2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane, and its systematic name is 1,3-dioxane, 2-(4-iodobutyl)-5,5-dimethyl-. With the molecular formula of C10H19IO2, its molecular weight is 298.16. The CAS registry number of this chemical is 402480-06-2.

Other characteristics of the 2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane can be summarised as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 91.85; (6)ACD/BCF (pH 7.4): 91.85; (7)ACD/KOC (pH 5.5): 884.65; (8)ACD/KOC (pH 7.4): 884.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 62.54 cm3; (15)Molar Volume: 216.3 cm3; (16)Polarizability: 24.79×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.378 g/cm3; (19)Flash Point: 132.3 °C; (20)Enthalpy of Vaporization: 51.34 kJ/mol; (21)Boiling Point: 295.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00273 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC1(COC(OC1)CCCCI)C
2.InChI: InChI=1/C10H19IO2/c1-10(2)7-12-9(13-8-10)5-3-4-6-11/h9H,3-8H2,1-2H3
3.InChIKey: BPFUSAQYSJHDHS-UHFFFAOYAS