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2H-Pyran-2,6(3H)-dione,dihydro-4-(2-methylpropyl)- (185815-59-2)

Identification
Name:2H-Pyran-2,6(3H)-dione,dihydro-4-(2-methylpropyl)-
Synonyms:3-Isobutylglutaricanhydride;2H-pyran-2,6(3H)-dione, dihydro-4-(2-methylpropyl)-;4-Isobutyldihydro-2H-pyran-2,6(3H)-dione;
CAS:185815-59-2
Molecular Formula: C9H14O3
Molecular Weight: 0
InChI: InChI=1/C9H14O3/c1-6(2)3-7-4-8(10)12-9(11)5-7/h6-7H,3-5H2,1-2H3
Molecular Structure: (C9H14O3) 3-Isobutylglutaricanhydride;2H-pyran-2,6(3H)-dione, dihydro-4-(2-methylpropyl)-;4-Isobutyldihydro-2H...
Properties
Density:1.054
Refractive index:1.451
Specification:

The 3-Isobutylglutaric anhydride with cas registry number of 185815-59-2, is also called 2H-pyran-2,6(3H)-dione, dihydro-4-(2-methylpropyl)- .

Physical properties of 3-Isobutylglutaric anhydride :(1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.3; (6)ACD/BCF (pH 7.4): 3.3; (7)ACD/KOC (pH 5.5): 81.85; (8)ACD/KOC (pH 7.4): 81.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 43.47 cm3; (15)Molar Volume: 161.4 cm3; (16)Polarizability: 17.23×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Enthalpy of Vaporization: 51.79 kJ/mol; (19)Vapour Pressure: 0.00406 mmHg at 25°C.

You can still convert the following datas into molecular structure:  (1)SMILES:O=C1OC(=O)CC(CC(C)C)C1; (2)InChI:InChI=1/C9H14O3/c1-6(2)3-7-4-8(10)12-9(11)5-7/h6-7H,3-5H2,1-2H3; (3)InChIKey:XLSGYCWYKZCYCK-UHFFFAOYAY; (4)Std. InChI:InChI=1S/C9H14O3/c1-6(2)3-7-4-8(10)12-9(11)5-7/h6-7H,3-5H2,1-2H3; (5)Std. InChIKey:XLSGYCWYKZCYCK-UHFFFAOYSA-N.

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