ChemSpider 2D Image | (8'E)-6'-Butyl-N-hydroxy-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-imine | C21H27NO3

(8'E)-6'-Butyl-N-hydroxy-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-imine

  • Molecular FormulaC21H27NO3
  • Average mass341.444 Da
  • Monoisotopic mass341.199097 Da
  • ChemSpider ID21830456
  • Double-bond stereo - Double-bond stereo


More details:






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

(8'E)-6'-Butyl-N-hydroxy-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-imine [ACD/IUPAC Name]
Spiro[2H,8H-benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-8-one, 6-butyl-3,4-dihydro-, oxime, (8E)- [ACD/Index Name]
(8'E)-6'-butyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-one oxime
(NE)-N-(6-butylspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-ylidene)hydroxylamine
1014409-66-5 [RN]
1133822-76-0 [RN]
4-butylspiro[6,7-dihydropyrano[3,2-g]chromene-8,1'-cyclohexane]-2-one oxime
4-butylspiro[6,7-dihydropyrano[3,2-g]chromene-8,1-cyclohexane]-2-one oxime
6-butyl-3,4-dihydro-8h-spiro[cyclohexane-1,2-pyrano[3,2-g]chromen]-8-one oxime
6'-butyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-one oxime
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 506.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.8±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 96.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71936.34
ACD/KOC (pH 5.5): 104275.96
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71935.09
ACD/KOC (pH 7.4): 104274.13
Polar Surface Area: 51 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 276.0±7.0 cm3

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