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Basic Information
CAS No.: 6301-66-2
Name: 2-benzyl-5-methyl-5-propyl-1,3-dioxane
Molecular Structure:
Molecular Structure of 6301-66-2 (2-benzyl-5-methyl-5-propyl-1,3-dioxane)
Formula: C15H22O2
Molecular Weight: 234.33
Synonyms: 5-Methyl-2-(phenylmethyl)-5-propyl-1,3-dioxane;2-Benzyl-5-methyl-5-propyl-1,3-dioxane;
EINECS: 228-595-4
Density: 0.979 g/cm3
Boiling Point: 315.7 °C at 760 mmHg
Flash Point: 155.4 °C
PSA: 18.46000
LogP: 3.40840
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Specification

The 1,3-Dioxane, 5-methyl-2-(phenylmethyl)-5-propyl-, with the CAS registry number 6301-66-2, is also known as 5-Methyl-2-(phenylmethyl)-5-propyl-1,3-dioxane. Its EINECS number is 228-595-4. This chemical's molecular formula is C15H22O2 and molecular weight is 234.33. What's more, its systematic name is 2-benzyl-5-methyl-5-propyl-1,3-dioxane.

Physical properties of 1,3-Dioxane, 5-methyl-2-(phenylmethyl)-5-propyl- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 485.94; (6)ACD/BCF (pH 7.4): 485.94; (7)ACD/KOC (pH 5.5): 2915.12; (8)ACD/KOC (pH 7.4): 2915.12; (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: 1.491; (14)Molar Refractivity: 69.39 cm3; (15)Molar Volume: 239.3 cm3; (16)Polarizability: 27.51×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 0.979 g/cm3; (19)Flash Point: 155.4 °C; (20)Enthalpy of Vaporization: 53.48 kJ/mol; (21)Boiling Point: 315.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000797 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1(COC(OC1)CC2=CC=CC=C2)C
(2)InChI: InChI=1S/C15H22O2/c1-3-9-15(2)11-16-14(17-12-15)10-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
(3)InChIKey: OYLVIOZNQQRAIF-UHFFFAOYSA-N