undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane

• ChemBase ID: 127180
• Molecular Formular: C20H20
• Molecular Mass: 260.3728
• Monoisotopic Mass: 260.15650064
• SMILES: C12C3C4C5C6C7C8C(C1C1C9C%10C(C4C29)C5C7C%10C81)C36
• Canonical SMILES: C12C3C4C5C2C2C6C1C1C3C3C4C4C5C2C2C6C1C3C42
• InChI: InChI=1S/C20H20/c1-2-5-7-3(1)9-10-4(1)8-6(2)12-11(5)17-13(7)15(9)19-16(10)14(8)18(12)20(17)19/h1-20H
• InChIKey: OOHPORRAEMMMCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecacyclo[9.9.0.0^2,^9.0^3,^7.0^4,^2^0.0^5,^1^8.0^6,^1^6.0^8,^1^5.0^1^0,^1^4.0^1^2,^1^9.0^1^3,^1^7]icosane
• IUPAC Traditional name: dodecahedrane
• Synonyms: Dodecahedrane

Database IDs

• CAS Number: 4493-23-6
• PubChem SID: 162221502
• PubChem CID: 123218
• CHEBI ID: 33013
• Chemspider ID: 109833
• Wikipedia Title: Dodecahedrane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.103123
• LogD (pH = 7.4): 1.103123
• Log P: 1.103123
• Molar Refractivity: 72.95 cm^3
• Polarizability: 29.550446 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true