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467435-58-1

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Basic Information
CAS No.: 467435-58-1
Name: 32,35-BIS[2-[(2,4-DIETHYLHEPTYL)
Molecular Structure:
Molecular Structure of 467435-58-1 (32,35-BIS[2-[(2,4-DIETHYLHEPTYL))
Formula: C64H94O10
Molecular Weight: 1023.43
Synonyms: 43,44-bis{2-[(2,4-Diethylheptyl)oxy]ethoxy}-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37(43),38,40-dodecaene;
Density: 1.027 g/cm3
Boiling Point: 987.7 °C at 760 mmHg
Flash Point: 308.6 °C
PSA: 92.30000
LogP: 13.47680
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Specification

The 31H-4,21-(Methano[1,3]benzenomethano)-26,30-metheno-25H-dibenzo[q,z][1,4,7,10,13,16]hexaoxacycloheptacosin,32,35-bis[2-[(2,4-diethylheptyl)oxy]ethoxy]-6,7,9,10,12,13,15,16,18,19-decahydro-, with the CAS registry number 467435-58-1, is also known as 43,44-bis{2-[(2,4-Diethylheptyl)oxy]ethoxy}-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37(43),38,40-dodecaene. The molecular formula of this chemical is C64H94O10 and molecular weight is 1023.43. What's more, it should be stored in condition of cold and dry.

Physical properties about 31H-4,21-(Methano[1,3]benzenomethano)-26,30-metheno-25H-dibenzo[q,z][1,4,7,10,13,16]hexaoxacycloheptacosin,32,35-bis[2-[(2,4-diethylheptyl)oxy]ethoxy]-6,7,9,10,12,13,15,16,18,19-decahydro- are: (1)ACD/LogP: 15.76; (2)#of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 15.76; (4)ACD/LogD (pH 7.4): 15.76; (5)#H bond acceptors: 10; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 24; (8)Polar Surface Area: 92.3 Å2; (9)Index of Refraction: 1.511; (10)Molar Refractivity: 298.77 cm3; (11)Molar Volume: 996.4 cm3; (12)Polarizability: 118.44×10-24cm3; (13)Surface Tension: 37.4 dyne/cm; (14)Density: 1.027 g/cm3; (15)Flash Point: 308.6 °C; (16)Enthalpy of Vaporization: 139.45 kJ/mol; (17)Boiling Point: 987.7 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCC(CC)CC(CC)COCCOc1c2cccc1Cc3cccc4c3OCCOCCOCCOCCOCCOc5c(cccc5Cc6cccc(c6OCCOCC(CC)CC(CC)CCC)C4)C2
(2) InChI: InChI=1/C64H94O10/c1-7-17-49(9-3)41-51(11-5)47-69-35-39-73-63-57-23-15-24-58(63)44-54-20-14-22-56-46-60-26-16-25-59(64(60)74-40-36-70-48-52(12-6)42-50(10-4)18-8-2)45-55-21-13-19-53(43-57)61(55)71-37-33-67-31-29-65-27-28-66-30-32-68-34-38-72-62(54)56/h13-16,19-26,49-52H,7-12,17-18,27-48H2,1-6H3
(3) InChIKey: YLKVYDVUEAJVBT-UHFFFAOYAL