ChemSpider 2D Image | 12,13,27,28,33,34,39,40-Octamethylundecacyclo[22.6.6.6~9,16~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,30~.0~31,36~.0~37,42~]dotetraconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29,31,33,35,37,39,41-n onadecaene | C50H42

12,13,27,28,33,34,39,40-Octamethylundecacyclo[22.6.6.69,16.02,23.04,21.06,19.08,17.010,15.025,30.031,36.037,42]dotetraconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29,31,33,35,37,39,41-n onadecaene

  • Molecular FormulaC50H42
  • Average mass642.869 Da
  • Monoisotopic mass642.328674 Da
  • ChemSpider ID3589430

More details:

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

12,13,27,28,33,34,39,40-Octamethylundecacyclo[22.6.6.69,16.02,23.04,21.06,19.08,17.010,15.025,30.031,36.037,42]dotetraconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29,31,33,35,37,39,41-n ; onadecaen [German] [ACD/IUPAC Name]
12,13,27,28,33,34,39,40-Octamethylundecacyclo[22.6.6.69,16.02,23.04,21.06,19.08,17.010,15.025,30.031,36.037,42]dotetraconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29,31,33,35,37,39,41-n ; onadecaene [ACD/IUPAC Name]
12,13,27,28,33,34,39,40-Octaméthylundécacyclo[22.6.6.69,16.02,23.04,21.06,19.08,17.010,15.025,30.031,36.037,42]dotétraconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29,31,33,35,37,39,41-n ; onadécaène [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 210.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 13.06
ACD/LogD (pH 5.5): 12.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 83.3±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 533.8±3.0 cm3

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