Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | (1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[1,3-Phenylenebis(1-propyne-1,3-diyloxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecane) | C42H54O10

(1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[1,3-Phenylenebis(1-propyne-1,3-diyloxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane)

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID31129011

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[1,3-Phenylenbis(1-propin-1,3-diyloxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan) [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[1,3-Phenylenebis(1-propyne-1,3-diyloxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane) [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[1,3-Phénylènebis(1-propyne-1,3-diyloxy)]bis(1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécane) [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10,10'-[1,3-phenylenebis(1-propyne-1,3-diyloxy)]bis[decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR,3'R,5'aS,6'R,8'aS,9'R,12'R,12'aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 190.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 10.60
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1339143.88
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1339143.88
Polar Surface Area: 92 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 557.9±5.0 cm3

Click to predict properties on the Chemicalize site


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