ChemSpider 2D Image | (7aS,11aS,11bR)-3,3,8,8,11a-Pentamethyl-1,5,7,7a,8,9,10,11,11a,11b-decahydronaphtho[1,2-e][1,3]dioxepine | C18H30O2

(7aS,11aS,11bR)-3,3,8,8,11a-Pentamethyl-1,5,7,7a,8,9,10,11,11a,11b-decahydronaphtho[1,2-e][1,3]dioxepine

  • Molecular FormulaC18H30O2
  • Average mass278.430 Da
  • Monoisotopic mass278.224579 Da
  • ChemSpider ID28425581
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(7aS,11aS,11bR)-3,3,8,8,11a-Pentamethyl-1,5,7,7a,8,9,10,11,11a,11b-decahydronaphtho[1,2-e][1,3]dioxepin [German] [ACD/IUPAC Name]
(7aS,11aS,11bR)-3,3,8,8,11a-Pentamethyl-1,5,7,7a,8,9,10,11,11a,11b-decahydronaphtho[1,2-e][1,3]dioxepine [ACD/IUPAC Name]
(7aS,11aS,11bR)-3,3,8,8,11a-Pentaméthyl-1,5,7,7a,8,9,10,11,11a,11b-décahydronaphto[1,2-e][1,3]dioxépine [French] [ACD/IUPAC Name]
Naphtho[1,2-e][1,3]dioxepin, 1,5,7,7a,8,9,10,11,11a,11b-decahydro-3,3,8,8,11a-pentamethyl-, (7aS,11aS,11bR)- [ACD/Index Name]
[213552-47-7]
213552-47-7 [RN]
Drim-7-ene-11,12-diol acetonide
MFCD20274944

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 347.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 178.4±21.5 °C
Index of Refraction: 1.508
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5076.92
ACD/KOC (pH 5.5): 15633.70
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5076.92
ACD/KOC (pH 7.4): 15633.70
Polar Surface Area: 18 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 34.8±5.0 dyne/cm
Molar Volume: 276.6±5.0 cm3

Click to predict properties on the Chemicalize site






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