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438461-39-3

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Basic Information
CAS No.: 438461-39-3
Name: CYCLOOCTYLMETHYL IODIDE
Molecular Structure:
Molecular Structure of 438461-39-3 (CYCLOOCTYLMETHYL IODIDE)
Formula: C9H17I
Molecular Weight: 252.138
Synonyms: IODOMETHYLCYCLOOCTANE;CYCLOOCTYLMETHYL IODIDE
Density: 1.386g/cm3
Boiling Point: 255.7 °C at 760 mmHg
Flash Point: 104.2 °C
PSA: 0.00000
LogP: 3.78190
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Specification

The Iodomethylcyclooctane, with CAS registry number 438461-39-3, has the systematic name of (iodomethyl)cyclooctane. Besides this, it is also called Cyclooctylmethyl iodide. And the chemical formula of this chemical is C9H17I.

Physical properties of Iodomethylcyclooctane: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.22; (4)ACD/LogD (pH 7.4): 5.22; (5)ACD/BCF (pH 5.5): 5425.33; (6)ACD/BCF (pH 7.4): 5425.33; (7)ACD/KOC (pH 5.5): 16394.36; (8)ACD/KOC (pH 7.4): 16394.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 54.55 cm3; (15)Molar Volume: 181.8 cm3; (16)Polarizability: 21.62×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 104.2 °C; (20)Enthalpy of Vaporization: 47.33 kJ/mol; (21)Boiling Point: 255.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0257 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICC1CCCCCCC1
(2)InChI: InChI=1/C9H17I/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8H2
(3)InChIKey: REEPTAINTWFSIK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H17I/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8H2
(5)Std. InChIKey: REEPTAINTWFSIK-UHFFFAOYSA-N