ChemSpider 2D Image | (1S,2S,5R,6E,10S)-5-Isopropyl-8-methylene-3H-spiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxiran]-3-one | C15H20O3

(1S,2S,5R,6E,10S)-5-Isopropyl-8-methylene-3H-spiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxiran]-3-one

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID34990828

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,5R,6E,10S)-5-Isopropyl-8-methylene-3H-spiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxiran]-3-one [ACD/IUPAC Name]
Spiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxiran]-3-one, 8-methylene-5-(1-methylethyl)-, (1S,2S,5R,6E,10S)- [ACD/Index Name]
(1R,2R,5S,6E,10R)-5-isopropyl-8-methylene-3-spiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]one
(1R,2R,5S,6E,10R)-5-isopropyl-8-methylene-spiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-one
(1R,2R,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-one
(1R,2R,5S,6E,10R)-8-methylidene-5-propan-2-yl-spiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-one
70613-99-9 [RN]
PERIPLANONE B, (±)-

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

UNII-GW5DRN3VEK [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: 377.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 173.7±14.3 °C
Index of Refraction: 1.532
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.75
ACD/KOC (pH 5.5): 404.22
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.75
ACD/KOC (pH 7.4): 404.22
Polar Surface Area: 42 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 220.4±5.0 cm3

Click to predict properties on the Chemicalize site


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