Found 11 results

Search term: MDSDQZGJBVBIFN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2R,3S,4S,5S,7R,8R,11S,14Z,17R)-5,8,11,15-Tetramethyl-10,18-dioxatetracyclo[9.7.0.0~2,7~.0~3,17~]octadec-14-en-4-yl acetate | C22H34O4

(1R,2R,3S,4S,5S,7R,8R,11S,14Z,17R)-5,8,11,15-Tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl acetate

  • Molecular FormulaC22H34O4
  • Average mass362.503 Da
  • Monoisotopic mass362.245697 Da
  • ChemSpider ID74047848

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,3S,4S,5S,7R,8R,11S,14Z,17R)-5,8,11,15-Tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl acetate [ACD/IUPAC Name]
(1R,2R,3S,4S,5S,7R,8R,11S,14Z,17R)-5,8,11,15-Tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl-acetat [German] [ACD/IUPAC Name]
2,9-[2]Penteno-2H-furo[2,3,4-ef][3]benzoxepin-3-ol, 2a,3,4,5,5a,6,7,9,9a,9b-decahydro-4,6,9,13-tetramethyl-, acetate, (2R,2aS,3S,4S,5aR,6R,9S,9aR,9bR,12Z)- [ACD/Index Name]
Acétate de (1R,2R,3S,4S,5S,7R,8R,11S,14Z,17R)-5,8,11,15-tétraméthyl-10,18-dioxatétracyclo[9.7.0.02,7.03,17]octadéc-14-én-4-yle [French] [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: 442.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 189.5±28.8 °C
Index of Refraction: 1.525
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3255.07
ACD/KOC (pH 5.5): 11373.28
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3255.07
ACD/KOC (pH 7.4): 11373.28
Polar Surface Area: 45 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

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