ChemSpider 2D Image | 5-[(1S,3aR,4S,6aR)-4-{3-Methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole | C25H28O6

5-[(1S,3aR,4S,6aR)-4-{3-Methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole

  • Molecular FormulaC25H28O6
  • Average mass424.486 Da
  • Monoisotopic mass424.188599 Da
  • ChemSpider ID28425514
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1,3-Benzodioxole, 5-[(1S,3aR,4S,6aR)-tetrahydro-4-[3-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-1H,3H-furo[3,4-c]furan-1-yl]- [ACD/Index Name]
1,3-Benzodioxole, 5-[tetrahydro-4-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-1H,3H-furo[3,4-c]furan-1-yl]-, (1α,3aα,4α,6aα)-(-)-
5-[(1S,3aR,4S,6aR)-4-{3-Methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-[(1S,3aR,4S,6aR)-4-{3-Methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole [ACD/IUPAC Name]
5-[(1S,3aR,4S,6aR)-4-{3-Méthoxy-4-[(3-méthyl-2-butén-1-yl)oxy]phényl}tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole [French] [ACD/IUPAC Name]
54631-93-5 [RN]
[157659-20-6]
157659-20-6 [RN]
MFCD20274731
Prenylpiperitol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 222.7±30.0 °C
Index of Refraction: 1.572
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1182.30
ACD/KOC (pH 5.5): 5508.81
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1182.30
ACD/KOC (pH 7.4): 5508.81
Polar Surface Area: 55 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 352.0±3.0 cm3

Click to predict properties on the Chemicalize site






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