ChemSpider 2D Image | RCL T244317 | C27H30O2

RCL T244317

  • Molecular FormulaC27H30O2
  • Average mass386.526 Da
  • Monoisotopic mass386.224579 Da
  • ChemSpider ID22899543

  • defined stereocentres - 2 of 14 defined stereocentres

More details:

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

(1R,4R)-5-(Phenoxymethyl)-3-oxanonacyclo[10.9.0.01,4.04,8.05,15.06,13.07,11.014,21.016,20]henicosan [German] [ACD/IUPAC Name]
(1R,4R)-5-(Phenoxymethyl)-3-oxanonacyclo[10.9.0.01,4.04,8.05,15.06,13.07,11.014,21.016,20]henicosane [ACD/IUPAC Name]
(1R,4R)-5-(Phénoxyméthyl)-3-oxanonacyclo[10.9.0.01,4.04,8.05,15.06,13.07,11.014,21.016,20]hénicosane [French] [ACD/IUPAC Name]
MFCD10568836
RCL T244317

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4370.32
ACD/KOC (pH 5.5): 14043.40
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4370.32
ACD/KOC (pH 7.4): 14043.40
Polar Surface Area: 18 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 283.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement