ChemSpider 2D Image | (1S,2'Z,5'S,7'Z,11'Z,16'Z)-10',14',19'-Triethyl-5',9',15',20'-tetramethyl-21',22',23',24'-tetraazaspiro[cyclopentane-1,4'-pentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosane]-1'(20'),2',6'(24'),7',9 ',11',13'(22'),14',16',18'-decaen-2-one | C34H40N4O

(1S,2'Z,5'S,7'Z,11'Z,16'Z)-10',14',19'-Triethyl-5',9',15',20'-tetramethyl-21',22',23',24'-tetraazaspiro[cyclopentane-1,4'-pentacyclo[16.2.1.13,6.18,11.113,16]tetracosane]-1'(20'),2',6'(24'),7',9 ',11',13'(22'),14',16',18'-decaen-2-one

  • Molecular FormulaC34H40N4O
  • Average mass520.708 Da
  • Monoisotopic mass520.320190 Da
  • ChemSpider ID10509219

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2'Z,5'S,7'Z,11'Z,16'Z)-10',14',19'-Triethyl-5',9',15',20'-tetramethyl-21',22',23',24'-tetraazaspiro[cyclopentane-1,4'-pentacyclo[16.2.1.13,6.18,11.113,16]tetracosane]-1'(20'),2',6'(24'),7',9
 ',11',13'(22'),14',16',18'-decaen-2-one [ACD/IUPAC Name]
Spiro[cyclopentane-1,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[2,6(24),7,9,11,13(22),14,16,18,20]decaen]-2-one, 10',14',19'-triethyl-5',9',15',20'-tetramethyl-, (1S,2 'Z,5'S,7'Z,11'Z,16'Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 903.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 441.9±40.7 °C
Index of Refraction: 1.629
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.86
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 74 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 430.5±5.0 cm3

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