ChemSpider 2D Image | (1S,4S,7R,8S,11R,12S,13R)-1,7,11-Trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-6-ol | C15H24O5

(1S,4S,7R,8S,11R,12S,13R)-1,7,11-Trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-6-ol

  • Molecular FormulaC15H24O5
  • Average mass284.348 Da
  • Monoisotopic mass284.162384 Da
  • ChemSpider ID22906330

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,4S,7R,8S,11R,12S,13R)-1,7,11-Trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-6-ol [ACD/IUPAC Name]
(1S,4S,7R,8S,11R,12S,13R)-1,7,11-Trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-6-ol [German] [ACD/IUPAC Name]
(1S,4S,7R,8S,11R,12S,13R)-1,7,11-Triméthyl-3,5,14,15-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécan-6-ol [French] [ACD/IUPAC Name]
3,12-Methano-5aH,7H-1,2,5-trioxepino[3,4-j][2]benzopyran-7-ol, octahydro-3,8,11-trimethyl-, (3S,5aS,8R,8aS,11R,12S,12aR)- [ACD/Index Name]
(1S,4S,7R,8S,11R,12S,13R)-1,7,11-trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-6-ol
(1S,4S,7R,8S,11R,12S,13R)-1,7,11-trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-6-ol
(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-ol
(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol
(3S,5aS,8R,8aS,11R,12S,12aR)-3,8,11-trimethyloctahydro-5aH,7H-3,12-methano[1,2,5]trioxepino[3,4-j]isochromen-7-ol
[71939-50-9] [RN]
More...

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

71939-50-9/81496-82-4/1236363-37-3 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 375.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.1±6.0 kJ/mol
Flash Point: 181.0±27.9 °C
Index of Refraction: 1.543
Molar Refractivity: 71.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.24
ACD/KOC (pH 5.5): 507.34
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.24
ACD/KOC (pH 7.4): 507.33
Polar Surface Area: 57 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 227.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement