ChemSpider 2D Image | 4-Methyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]-2,3,6,7-tetrahydrooxepine | C12H18O

4-Methyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]-2,3,6,7-tetrahydrooxepine

  • Molecular FormulaC12H18O
  • Average mass178.271 Da
  • Monoisotopic mass178.135757 Da
  • ChemSpider ID35014507

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Methyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]-2,3,6,7-tetrahydrooxepin [German] [ACD/IUPAC Name]
4-Methyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]-2,3,6,7-tetrahydrooxepine [ACD/IUPAC Name]
4-Méthyl-2-[(1Z)-3-méthyl-1,3-butadién-1-yl]-2,3,6,7-tétrahydrooxépine [French] [ACD/IUPAC Name]
Oxepin, 2,3,6,7-tetrahydro-4-methyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]- [ACD/Index Name]
132925-10-1 [RN]
2,3,6,7-Tetrahydro-4-methyl-2-(3-methyl-1,3-butadienyl)oxepin
4-methyl-2-[(1Z)-3-methylbuta-1,3-dien-1-yl]-2,3,6,7-tetrahydrooxepine
Quinceoxepine

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 251.3±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 102.0±25.1 °C
Index of Refraction: 1.523
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.65
ACD/KOC (pH 5.5): 2669.23
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.65
ACD/KOC (pH 7.4): 2669.23
Polar Surface Area: 9 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 190.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement