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Isobornyl 2-methyl-2-propenoate (28854-39-9)

Identification
Name:Isobornyl 2-methyl-2-propenoate
Synonyms:Isobornyl Methacrylate;[(1R,4R,6R)-1,7,7-Trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;
CAS:28854-39-9
Molecular Formula: C14H22O2
Molecular Weight: 222.32
InChI: InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1
Molecular Structure: (C14H22O2) Isobornyl Methacrylate;[(1R,4R,6R)-1,7,7-Trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;
Properties
Specification:

The Isobornyl 2-methyl-2-propenoate with cas registry number of 28854-39-9, is also called Isobornyl Methacrylate ; [(1R,4R,6R)-1,7,7-Trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate .

Physical properties of Isobornyl 2-methyl-2-propenoate :(1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.32; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Enthalpy of Vaporization: 43.8 kJ/mol; (14)Vapour Pressure: 1.23 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:[O-]C(=O)\C(=C)C; (2)InChI:InChI=1/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/p-1; (3)InChIKey:CERQOIWHTDAKMF-REWHXWOFAY; (4)Std. InChI:InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/p-1; (5)Std. InChIKey:CERQOIWHTDAKMF-UHFFFAOYSA-M.

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