Basic information
- Name:
Benzene,4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
- Superlist Name:
- 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene
- CAS No.:
172900-69-5
- Molecular Structure:
![Molecular Structure of 172900-69-5 (Benzene,4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-)](http://www.lookchem.com/300w/2010/076/172900-69-5.jpg)
- Formula:
- C17H27BrO3
- Molecular Weight:
- 359.30
- Synonyms:
- Benzene,4-[2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, (R)-;
- Density:
- 1.173 g/cm3
- Melting Point:
- 52-53 °C
- Boiling Point:
- 398.8 °C at 760 mmHg
- Flash Point:
- 164.4 °C
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Specification
The 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene, with the CAS registry number 172900-69-5, is also known as Benzene, 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-. This chemical's molecular formula is C17H27BrO3 and molecular weight is 359.2985. Its systematic name is called 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene.
Physical properties of 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene: (1)ACD/LogP: 4.72; (2)ACD/LogD (pH 5.5): 4.72; (3)ACD/LogD (pH 7.4): 4.72; (4)ACD/BCF (pH 5.5): 2258.19; (5)ACD/BCF (pH 7.4): 2258.19; (6)ACD/KOC (pH 5.5): 8754.22; (7)ACD/KOC (pH 7.4): 8754.22; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.506; (11)Molar Refractivity: 90.98 cm3; (12)Molar Volume: 306 cm3; (13)Surface Tension: 34.5 dyne/cm; (14)Density: 1.173 g/cm3; (15)Flash Point: 164.4 °C; (16)Enthalpy of Vaporization: 62.42 kJ/mol; (17)Boiling Point: 398.8 °C at 760 mmHg; (18)Vapour Pressure: 3.29E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC[C@@H](C(C)C)Cc1cc(OCCCOC)c(OC)cc1
(2)InChI: InChI=1/C17H27BrO3/c1-13(2)15(12-18)10-14-6-7-16(20-4)17(11-14)21-9-5-8-19-3/h6-7,11,13,15H,5,8-10,12H2,1-4H3/t15-/m0/s1
(3)InChIKey: ICJBMWOVLFPLFP-HNNXBMFYBP

