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| CAS No.: | 85866-01-9 |
|---|---|
| Name: | 2,2-Bis[[(1-oxoallyl)oxy]methyl]butyl 10,16-dioxo-13,13-bis[[(1-oxoallyl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate |
| Molecular Structure: | |
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| Formula: | C34H48N2O14 |
| Molecular Weight: | 708.75 |
| Synonyms: | 11,15-Dioxa-2,9-diazaoctadec-17-enoicacid, 10,16-dioxo-13,13-bis[[(1-oxo-2-propenyl)oxy]methyl]-,2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]butyl ester (9CI);[2-[6-[[3-Prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexylcarbamoyloxymethyl]-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate;11,15-Dioxa-2,9-diazaoctadec-17-enoicacid, 10,16-dioxo-13,13-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-,2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl ester; |
| EINECS: | 288-703-0 |
| Density: | 1.166 g/cm3 |
| Boiling Point: | 778.8 °C at 760 mmHg |
| Flash Point: | 424.8 °C |
| PSA: | 215.14000 |
| LogP: | 3.43680 |
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Specification
The 2,2-Bis[[(1-oxoallyl)oxy]methyl]butyl 10,16-dioxo-13,13-bis[[(1-oxoallyl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate, with the CAS registry number 85866-01-9, is also known as 11,15-Dioxa-2,9-diazaoctadec-17-enoicacid, 10,16-dioxo-13,13-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-,2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl ester. Its EINECS number is 288-703-0. This chemical's molecular formula is C34H48N2O14 and molecular weight is 708.75. What's more, its systematic name is [2-[6-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexylcarbamoyloxymethyl]-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate.
Physical properties of 2,2-Bis[[(1-oxoallyl)oxy]methyl]butyl 10,16-dioxo-13,13-bis[[(1-oxoallyl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)#H bond acceptors: 16; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 34; (8)Polar Surface Area: 208.16 Å2; (9)Index of Refraction: 1.497; (10)Molar Refractivity: 177.73 cm3; (11)Molar Volume: 607.3 cm3; (12)Polarizability: 70.46×10-24cm3; (13)Surface Tension: 42.3 dyne/cm; (14)Density: 1.166 g/cm3; (15)Flash Point: 424.8 °C; (16)Enthalpy of Vaporization: 113.33 kJ/mol; (17)Boiling Point: 778.8 °C at 760 mmHg; (18)Vapour Pressure: 3.38E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(COC(=O)NCCCCCCNC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C
(2)InChI: InChI=1S/C34H48N2O14/c1-7-26(37)44-19-33(12-6,20-45-27(38)8-2)21-49-31(42)35-17-15-13-14-16-18-36-32(43)50-25-34(22-46-28(39)9-3,23-47-29(40)10-4)24-48-30(41)11-5/h7-11H,1-5,12-25H2,6H3,(H,35,42)(H,36,43)
(3)InChIKey: FUTNTFKKRXSZOA-UHFFFAOYSA-N