7,7-dibromopentacyclo[6.3.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-1-ol

• ChemBase ID: 84952
• Molecular Formular: C11H12Br2O
• Molecular Mass: 320.02038
• Monoisotopic Mass: 317.925489
• SMILES: BrC1(C2C3(C4C1C1C2C(C4C1)C3)O)Br
• Canonical SMILES: BrC1(Br)C2C3C4C1C1(C2C(C3)C4C1)O
• InChI: InChI=1S/C11H12Br2O/c12-11(13)8-4-1-3-5-2-10(14,7(3)8)9(11)6(4)5/h3-9,14H,1-2H2
• InChIKey: OOJNESNZJVMXNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dibromopentacyclo[6.3.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-1-ol
• IUPAC Traditional name: 7,7-dibromopentacyclo[6.3.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-1-ol
• Synonyms: 7,7-dibromopentacyclo[6.3.0.0~2,6~.0~3,10~.0~5,9~]undecan-1-ol

Database IDs

• MDL Number: MFCD06796363
• PubChem SID: 162072068
• PubChem CID: 2795009

CALCULATED PROPERTIES

• Acid pKa: 14.2374935
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.276029
• LogD (pH = 7.4): 1.276029
• Log P: 1.276029
• Molar Refractivity: 60.0289 cm^3
• Polarizability: 23.727074 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true