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136522-85-5

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Basic Information
CAS No.: 136522-85-5
Name: (R)-2,2-Dimethyl-1,3-dioxane-4-methanol
Molecular Structure:
Molecular Structure of 136522-85-5 ((R)-2,2-Dimethyl-1,3-dioxane-4-methanol)
Formula: C7H14O3
Molecular Weight: 146.18
Synonyms: (R)-2,2-Dimethyl-1,3-dioxane-4-methanol;(R)-(2,2-Dimethyl-1,3-dioxan-4-yl)methanol;(R)-4-hydroxymethyl-2,2-dimethyl-1,3-dioxane;
Density: 1.004 g/cm3
Boiling Point: 207.703 °C at 760 mmHg
Flash Point: 96.026 °C
PSA: 38.69000
LogP: 0.52030
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Specification

The (R)-2,2-Dimethyl-1,3-dioxane-4-methanol, with the CAS registry number 136522-85-5, has the molecular formula C7H14O3. In addition, its formula weight is 146.18. What's more, its systematic name is called (2,2-dimethyl-1,3-dioxan-4-yl)methanol.

Physical properties of (R)-2,2-Dimethyl-1,3-dioxane-4-methanol: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31; (8)ACD/KOC (pH 7.4): 31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 37.208 cm3; (14)Molar Volume: 145.526 cm3; (15)Surface Tension: 34.818 dyne/cm; (16)Density: 1.004 g/cm3; (17)Flash Point: 96.026 °C; (18)Enthalpy of Vaporization: 51.643 kJ/mol; (19)Boiling Point: 207.703 °C at 760 mmHg; (20)Vapour Pressure: 0.052 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OCCC(CO)O1
(2)InChI: InChI=1/C7H14O3/c1-7(2)9-4-3-6(5-8)10-7/h6,8H,3-5H2,1-2H3
(3)InChIKey: VHFPDSDOOGPPBS-UHFFFAOYAQ