ChemSpider 2D Image | (S)-tert-Butyl 4-((R)-2-(hydroxymethyl)pent-4-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate | C16H29NO4

(S)-tert-Butyl 4-((R)-2-(hydroxymethyl)pent-4-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate

  • Molecular FormulaC16H29NO4
  • Average mass299.406 Da
  • Monoisotopic mass299.209656 Da
  • ChemSpider ID28600440

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-[(2R)-2-(Hydroxyméthyl)-4-pentén-1-yl]-2,2-diméthyl-1,3-oxazolidine-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 4-((R)-2-(hydroxymethyl)pent-4-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
2-Methyl-2-propanyl (4S)-4-[(2R)-2-(hydroxymethyl)-4-penten-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4S)-4-[(2R)-2-(hydroxymethyl)-4-penten-1-yl]-2,2-dimethyl-1,3-oxazolidin-3-carboxylat [German] [ACD/IUPAC Name]
3-Oxazolidinecarboxylic acid, 4-[(2R)-2-(hydroxymethyl)-4-penten-1-yl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)- [ACD/Index Name]
942144-13-0 [RN]
tert-Butyl (4S)-4-[(2R)-2-(hydroxymethyl)pent-4-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
tert-butyl (S)-4-((R)-2-(hydroxymethyl)pent-4-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 192.4±25.1 °C
Index of Refraction: 1.473
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.56
ACD/KOC (pH 5.5): 466.45
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.56
ACD/KOC (pH 7.4): 466.45
Polar Surface Area: 59 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 293.0±3.0 cm3

Click to predict properties on the Chemicalize site


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