ChemSpider 2D Image | 3-(1-Acetoxy-2-propanyl)-6,10,14,16a-tetramethyl-1-oxo-1,3a,4,5,6,7,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulene-2,7-diyl diacetate | C31H46O7

3-(1-Acetoxy-2-propanyl)-6,10,14,16a-tetramethyl-1-oxo-1,3a,4,5,6,7,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulene-2,7-diyl diacetate

  • Molecular FormulaC31H46O7
  • Average mass530.693 Da
  • Monoisotopic mass530.324341 Da
  • ChemSpider ID340054

More details:

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

1(3aH)-Cyclopentacyclopentadecenone, 2,7-bis(acetyloxy)-3-[2-(acetyloxy)-1-methylethyl]-4,5,6,7,8,9,12,13,16,16a-decahydro-6,10,14,16a-tetramethyl- [ACD/Index Name]
3-(1-Acetoxy-2-propanyl)-6,10,14,16a-tetramethyl-1-oxo-1,3a,4,5,6,7,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulen-2,7-diyl-diacetat [German] [ACD/IUPAC Name]
3-(1-Acetoxy-2-propanyl)-6,10,14,16a-tetramethyl-1-oxo-1,3a,4,5,6,7,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulene-2,7-diyl diacetate [ACD/IUPAC Name]
Diacétate de 3-(1-acétoxy-2-propanyl)-6,10,14,16a-tétraméthyl-1-oxo-1,3a,4,5,6,7,8,9,12,13,16,16a-dodécahydrocyclopenta[15]annulène-2,7-diyle [French] [ACD/IUPAC Name]

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

NCI60_025692 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 620.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 256.9±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 216432.22
ACD/KOC (pH 5.5): 229402.97
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 216432.22
ACD/KOC (pH 7.4): 229402.97
Polar Surface Area: 96 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 485.3±5.0 cm3

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