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76742-53-5

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Basic Information
CAS No.: 76742-53-5
Name: tetrahydro-2-[(tetrahydro-3-furyl)methoxy]-2H-pyran
Molecular Structure:
Molecular Structure of 76742-53-5 (tetrahydro-2-[(tetrahydro-3-furyl)methoxy]-2H-pyran)
Formula: C10H18O3
Molecular Weight: 186.24812
Synonyms: 2-(Tetrahydrofuran-3-ylmethoxy)tetrahydro-2H-pyran;
EINECS: 278-539-8
Density: 1.05 g/cm3
Boiling Point: 275.7 °C at 760 mmHg
Flash Point: 91.1 °C
PSA: 27.69000
LogP: 1.56610
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Specification

The 2H-Pyran,tetrahydro-2-[(tetrahydro-3-furanyl)methoxy]-, with the CAS registry number 76742-53-5, is also known as 2-(Tetrahydrofuran-3-ylmethoxy)tetrahydro-2H-pyran. Its EINECS registry number is 278-539-8. This chemical's molecular formula is C10H18O3 and molecular weight is 186.24812. What's more, its IUPAC name is called 2-(Oxolan-3-ylmethoxy)oxane.

Physical properties about 2H-Pyran,tetrahydro-2-[(tetrahydro-3-furanyl)methoxy]- are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.57; (8)ACD/KOC (pH 7.4): 23.57; (9)#H bond acceptors: 3 ; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 49.44 cm3; (15)Molar Volume: 176.5 cm3; (16)Surface Tension: 34.6 dyne/cm; (17)Density: 1.05 g/cm3; (18)Flash Point: 91.1 °C; (19)Enthalpy of Vaporization: 49.35 kJ/mol; (20)Boiling Point: 275.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00843 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(CC1CCOC1)C2OCCCC2
(2) InChI: InChI=1/C10H18O3/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h9-10H,1-8H2
(3) InChIKey: CHEXWZJKOMVFBQ-UHFFFAOYAO