Found 14 results

Search term: MF = 'C_{18}H_{21}BN_{2}O_{2}'
ChemSpider 2D Image | (R)-Methyl 5-methyl-3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)hex-4-enoate | C18H21BN2O2

(R)-Methyl 5-methyl-3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)hex-4-enoate

  • Molecular FormulaC18H21BN2O2
  • Average mass308.182 Da
  • Monoisotopic mass308.169617 Da
  • ChemSpider ID26285842

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-5-Méthyl-3-(1H-naphto[1,8-de][1,3,2]diazaborinin-2(3H)-yl)-4-hexénoate de méthyle [French] [ACD/IUPAC Name]
(R)-Methyl 5-methyl-3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)hex-4-enoate
1H-Naphtho[1,8-de]-1,3,2-diazaborine-2(3H)-propanoic acid, β-(2-methyl-1-propen-1-yl)-, methyl ester, (βR)- [ACD/Index Name]
Methyl (3R)-5-methyl-3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)-4-hexenoate [ACD/IUPAC Name]
Methyl-(3R)-5-methyl-3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)-4-hexenoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.6±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 50 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 269.8±5.0 cm3

Click to predict properties on the Chemicalize site


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