2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecane

• ChemBase ID: 127690
• Molecular Formular: C6H6N12O12
• Molecular Mass: 438.18504
• Monoisotopic Mass: 438.02281369
• SMILES: [O-][N+](=O)N1C2C3N(C4C(N3[N+](=O)[O-])N(C(C1N4[N+](=O)[O-])N2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)N1C2N(C3C1N([N+](=O)[O-])C1N(C2N([N+](=O)[O-])C1N3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C6H6N12O12/c19-13(20)7-1-2-8(14(21)22)5(7)6-9(15(23)24)3(11(1)17(27)28)4(10(6)16(25)26)12(2)18(29)30/h1-6H
• InChIKey: NDYLCHGXSQOGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0^3,^1^1.0^5,^9]dodecane
• IUPAC Traditional name: hexanitrohexaazaisowurtzitane
• Synonyms: CL-20; Hexanitrohexaazaisowurtzitane

Database IDs

• CAS Number: 135285-90-4
• PubChem SID: 162222008
• PubChem CID: 9889323
• Chemspider ID: 8064994
• Wikipedia Title: Hexanitrohexaazaisowurtzitane

CALCULATED PROPERTIES

• H Acceptors: 18
• H Donor: 0
• LogD (pH = 5.5): -0.18311638
• LogD (pH = 7.4): -0.18311638
• Log P: -0.18311638
• Molar Refractivity: 81.5154 cm^3
• Polarizability: 28.59866 Å^3
• Polar Surface Area: 294.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 2.044 g cm^-3

Safety Information

• Explosive Velocity: 9.38 km s^-1