Name: 3-Ethyl-3-[(2-ethylhexyloxy)methyl]oxetane
SKU: 298695-60-0

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Basic Information

Molecular Structure:
CAS No.:	298695-60-0
Name:	3-Ethyl-3-[(2-ethylhexyloxy)methyl]oxetane

Formula:	C₁₄H₂₈O₂
Molecular Weight:	228.37
Synonyms:	2,3,4,6-Tetra-O-acetyl-1-thio-β-D-galactopyranose;
Density:	0.886 g/cm³
Boiling Point:	273.12 °C at 760 mmHg
Flash Point:	129.24 °C
PSA:	18.46000
LogP:	3.64600

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Specification

The Oxetane, 3-ethyl-3-[[(2-ethylhexyl)oxy]methyl]-, with the CAS registry number 298695-60-0, is also known as 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-galactopyranose. This chemical's molecular formula is C₁₄H₂₈O₂ and molecular weight is 228.37. What's more, its systematic name is called 3-Ethyl-3-{[(2-ethylhexyl)oxy]methyl}oxetane.

Physical properties about Oxetane, 3-ethyl-3-[[(2-ethylhexyl)oxy]methyl]- are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 756.27; (6)ACD/BCF (pH 7.4): 756.27; (7)ACD/KOC (pH 5.5): 4000.91; (8)ACD/KOC (pH 7.4): 4000.91; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 68.133 cm³; (15)Molar Volume: 257.882 cm³; (16)Polarizability: 27.01×10^-24cm³; (17)Surface Tension: 31.907 dyne/cm; (18)Density: 0.886 g/cm³; (19)Flash Point: 129.24 °C; (20)Enthalpy of Vaporization: 49.086 kJ/mol; (21)Boiling Point: 273.12 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC(CCCC)COCC1(COC1)CC
(2) InChI: InChI=1S/C14H28O2/c1-4-7-8-13(5-2)9-15-10-14(6-3)11-16-12-14/h13H,4-12H2,1-3H3
(3) InChIKey: BIDWUUDRRVHZLQ-UHFFFAOYSA-N