undecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane

• ChemBase ID: 128796
• Molecular Formular: C20H20
• Molecular Mass: 260.3728
• Monoisotopic Mass: 260.15650064
• SMILES: C1C2C3C4CC5C3C1C13C6CC7C8C9CC(C68)C51C49C237
• Canonical SMILES: C1C2C3C4C1C15C62C2CC1C1C2C2C76C3CC4C57C1C2
• InChI: InChI=1S/C20H20/c1-5-13-7-2-8-14(13)6(1)18-10-3-9-15-11-4-12(16(10)15)20(8,18)19(7,11)17(5,9)18/h5-16H,1-4H2
• InChIKey: HRQVTWFSLAASTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecacyclo[9.9.0.0^1,^5.0^2,^1^2.0^2,^1^8.0^3,^7.0^6,^1^0.0^8,^1^2.0^1^1,^1^5.0^1^3,^1^7.0^1^6,^2^0]icosane
• IUPAC Traditional name: pagodane
• Synonyms: Pagodane

Database IDs

• CAS Number: 89683-62-5
• PubChem SID: 162223100
• PubChem CID: 145202
• Chemspider ID: 128087
• Wikipedia Title: Pagodane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.155235
• LogD (pH = 7.4): 1.155235
• Log P: 1.155235
• Molar Refractivity: 72.656 cm^3
• Polarizability: 29.550446 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true