3',7'-dibromodispiro[1,3-dioxolane-2,2'-bicyclo[3.3.1]nonane-6',2''-[1,3]dioxolane]

• ChemBase ID: 80248
• Molecular Formular: C13H18Br2O4
• Molecular Mass: 398.08762
• Monoisotopic Mass: 395.95718306
• SMILES: O1C2(C3CC(C4(OCCO4)C(C3)Br)CC2Br)OCC1
• Canonical SMILES: BrC1CC2CC(C31OCCO3)CC(C12OCCO1)Br
• InChI: InChI=1S/C13H18Br2O4/c14-10-7-9-5-8(12(10)16-1-2-17-12)6-11(15)13(9)18-3-4-19-13/h8-11H,1-7H2
• InChIKey: OSPRNWJVZBLALK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3',7'-dibromodispiro[1,3-dioxolane-2,2'-bicyclo[3.3.1]nonane-6',2''-[1,3]dioxolane]
• IUPAC Traditional name: 3',7'-dibromodispiro[1,3-dioxolane-2,2'-bicyclo[3.3.1]nonane-6',2''-[1,3]dioxolane]
• Synonyms: 3,7-Dibromo-2,6-bis[spiro(ethylenedioxy-2-yl)]bicyclo[3.3.1]undecane

Database IDs

• MDL Number: MFCD00829418
• PubChem SID: 162067368
• PubChem CID: 2775943

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.156517
• LogD (pH = 7.4): 3.156517
• Log P: 3.156517
• Molar Refractivity: 75.5908 cm^3
• Polarizability: 30.405748 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true