ChemSpider 2D Image | Semi-b-carotenone | C40H56O2

Semi-b-carotenone

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID16736358

  • Double-bond stereo - Double-bond stereo

More details:

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

(8E,10E,12E,14E,16E,18E,20E,22E,24E)-6,6,10,14,19,23-Hexamethyl-25-(2,6,6-trimethyl-1-cyclohexen-1-yl)-8,10,12,14,16,18,20,22,24-pentacosanonaen-2,7-dion [German] [ACD/IUPAC Name]
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-6,6,10,14,19,23-Hexamethyl-25-(2,6,6-trimethyl-1-cyclohexen-1-yl)-8,10,12,14,16,18,20,22,24-pentacosanonaene-2,7-dione [ACD/IUPAC Name]
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-6,6,10,14,19,23-Hexaméthyl-25-(2,6,6-triméthyl-1-cyclohexén-1-yl)-8,10,12,14,16,18,20,22,24-pentacosanonaène-2,7-dione [French] [ACD/IUPAC Name]
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-6,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione
20126-73-2 [RN]
5,6-seco-b,b-carotene-5,6-dione
5',6'-seco-b,b-carotene-5',6'-dione
8,10,12,14,16,18,20,22,24-Pentacosanonaene-2,7-dione, 6,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (8E,10E,12E,14E,16E,18E,20E,22E,24E)- [ACD/Index Name]
Semi-b-carotenone
Semi-β-carotenone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3185633 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 709.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 251.7±25.2 °C
Index of Refraction: 1.540
Molar Refractivity: 186.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.57
ACD/LogD (pH 5.5): 10.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 34 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 594.6±3.0 cm3

Click to predict properties on the Chemicalize site


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