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114797-39-6

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Basic Information
CAS No.: 114797-39-6
Name: Methothrin
Molecular Structure:
Molecular Structure of 114797-39-6 (Methothrin)
Formula: C19H26O3
Molecular Weight: 302.41
Synonyms: [4-(Methoxymethyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate;Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [4-(methoxymethyl)phenyl]methyl ester, (1R,3R)-;
Density: 1.074 g/cm3
Boiling Point: 369.6 °C at 760 mmHg
Flash Point: 154.8 °C
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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    Methothrin

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Specification

The Methothrin with CAS registry number of 114797-39-6 is also known as Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [4-(methoxymethyl)phenyl]methyl ester, (1R,3R)-. The systematic name is [4-(Methoxymethyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate. In addition, the formula is C19H26O3 and the molecular weight is 302.41.

Physical properties about Methothrin are: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.22; (4)ACD/LogD (pH 7.4): 5.22; (5)ACD/BCF (pH 5.5): 5453.31; (6)ACD/BCF (pH 7.4): 5453.31; (7)ACD/KOC (pH 5.5): 16454.85; (8)ACD/KOC (pH 7.4): 16454.85; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 90.11 cm3; (13)Molar Volume: 281.3 cm3; (14)Surface Tension: 41.7 dyne/cm; (15)Density: 1.074 g/cm3; (16)Flash Point: 154.8 °C; (17)Enthalpy of Vaporization: 61.64 kJ/mol; (18)Boiling Point: 369.6 °C at 760 mmHg; (19)Vapour Pressure: 1.17E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCc2ccc(cc2)COC)C
2. InChI: InChI=1/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3/t16-,17+/m1/s1
3. InChIKey: GQNBIMLHUAWKHJ-SJORKVTEBO
4. Std. InChI: InChI=1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3/t16-,17+/m1/s1
5. Std. InChIKey: GQNBIMLHUAWKHJ-SJORKVTESA-N