Found 1 result

Search term: OTIYLZVFQIMLQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | carlactone | C19H26O3

carlactone

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID28533155

  • Double-bond stereo - Double-bond stereo

More details:

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

2(5H)-Furanone, 3-methyl-5-[[(1Z,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]oxy]- [ACD/Index Name]
3-Methyl-5-{[(1Z,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]oxy}-2(5H)-furanon [German] [ACD/IUPAC Name]
3-Methyl-5-{[(1Z,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]oxy}-2(5H)-furanone [ACD/IUPAC Name]
3-Méthyl-5-{[(1Z,3E)-2-méthyl-4-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,3-butadién-1-yl]oxy}-2(5H)-furanone [French] [ACD/IUPAC Name]
carlactone
3-methyl-5-{[(1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl]oxy}furan-2(5H)-one
C20693

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 201.7±23.3 °C
Index of Refraction: 1.528
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2060.71
ACD/KOC (pH 5.5): 8199.18
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2060.71
ACD/KOC (pH 7.4): 8199.18
Polar Surface Area: 36 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 286.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement