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4351-11-5

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Basic Information
CAS No.: 4351-11-5
Name: 4-IODOMETHYL-2,2-DIMETHYL-[1,3]DIOXOLANE
Article Data: 33
Molecular Structure:
Molecular Structure of 4351-11-5 (4-IODOMETHYL-2,2-DIMETHYL-[1,3]DIOXOLANE)
Formula: C6H11IO2
Molecular Weight: 242.057
Synonyms: (4R)-4-(Iodomethyl)-2,2-dimethyl-1,3-dioxolane;
Density: 1.623 g/cm3
Boiling Point: 217.273 °C at 760 mmHg
Flash Point: 85.204 °C
PSA: 18.46000
LogP: 1.57290
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Specification

The 4-Iodomethyl-2,2-dimethyl-1,3-dioxalane, with CAS registry number 4351-11-5, has the systematic name of (4R)-4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane. Besides this, it is also called 1,3-dioxolane, 4-(iodomethyl)-2,2-dimethyl-, (4R)-. And the chemical formula of this chemical is C6H11IO2.

Physical properties about this chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 191; (8)ACD/KOC (pH 7.4): 191; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 44.03 cm3; (15)Molar Volume: 149.108 cm3; (16)Polarizability: 17.455×10-24cm3; (17)Surface Tension: 38.209 dyne/cm; (18)Enthalpy of Vaporization: 43.517 kJ/mol; (19)Vapour Pressure: 0.197 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)O[C@@H](CI)CO1
(2)InChI: InChI=1/C6H11IO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m0/s1
(3)InChIKey: BBKBPYFNBFEICG-YFKPBYRVBR
(4)Std. InChI: InChI=1S/C6H11IO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m0/s1
(5)Std. InChIKey: BBKBPYFNBFEICG-YFKPBYRVSA-N