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919995-27-0

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Basic Information
CAS No.: 919995-27-0
Name: 1-(4-methoxy-3-(3-methoxypropoxy)phenyl)-3-methylbutan-1-one
Article Data: 3
Molecular Structure:
Molecular Structure of 919995-27-0 (1-(4-methoxy-3-(3-methoxypropoxy)phenyl)-3-methylbutan-1-one)
Formula: C16H24O4
Molecular Weight: 280.364
Synonyms: 1-(4-methoxy-3-(3-methoxypropoxy)phenyl)-3-methyl-butan-1-one
Density: 1.02 g/cm3
Boiling Point: 385.3 °C at 760 mmHg
Flash Point: 167.1 °C
PSA: 44.76000
LogP: 3.33930
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Specification

This chemical is an organic compound with the formula C16H24O4. The systematic name of this chemical is 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-methylbutan-1-one and the CAS registry number is 919995-27-0. In addition, the molecular weight is 280.36416.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 178.41; (6)ACD/BCF (pH 7.4): 178.41; (7)ACD/KOC (pH 5.5): 1422.92; (8)ACD/KOC (pH 7.4): 1422.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 79.13 cm3; (15)Molar Volume: 274.7 cm3; (16)Polarizability: 31.37×10-24 cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 167.1 °C; (20)Enthalpy of Vaporization: 63.41 kJ/mol; (21)Boiling Point: 385.3 °C at 760 mmHg; (22)Vapour Pressure: 3.85E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1cc(OCCCOC)c(OC)cc1)CC(C)C
2. InChI:InChI=1/C16H24O4/c1-12(2)10-14(17)13-6-7-15(19-4)16(11-13)20-9-5-8-18-3/h6-7,11-12H,5,8-10H2,1-4H3 
3. InChIKey:WCRVSPUNMRRCCF-UHFFFAOYAI
4. Std. InChI:InChI=1S/C16H24O4/c1-12(2)10-14(17)13-6-7-15(19-4)16(11-13)20-9-5-8-18-3/h6-7,11-12H,5,8-10H2,1-4H3
5. Std. InChIKey:WCRVSPUNMRRCCF-UHFFFAOYSA-N