ChemSpider 2D Image | (1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,56R)-5,10,15,20,25,30,35,40-Octakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl )-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-h exadecol | C96H192O40Si8

(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,56R)-5,10,15,20,25,30,35,40-Octakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl )-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-h exadecol

  • Molecular FormulaC96H192O40Si8
  • Average mass2211.212 Da
  • Monoisotopic mass2209.114502 Da
  • ChemSpider ID21493847

  • defined stereocentres - 24 of 40 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,56R)-5,10,15,20,25,30,35,40-Octakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl ;)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-he ;xadecol [German] [ACD/IUPAC Name]
(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,56R)-5,10,15,20,25,30,35,40-Octakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl ;)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-h ;exadecol [ACD/IUPAC Name]
(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,56R)-5,10,15,20,25,30,35,40-Octakis({[diméthyl(2-méthyl-2-propanyl)silyl]oxy}méthyl ;)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadécaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-h ;exadécol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.490
Molar Refractivity: 563.4±0.3 cm3
#H bond acceptors: 40
#H bond donors: 16
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 4
ACD/LogP: 18.03
ACD/LogD (pH 5.5): 13.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 545 Å2
Polarizability: 223.3±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 1948.0±3.0 cm3

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