(7R)-4,6,7,9-tetrabromotetracyclo[6.3.0.0^{2,6}.0^{3,10}]undec-4-ene

• ChemBase ID: 84955
• Molecular Formular: C11H10Br4
• Molecular Mass: 461.8131
• Monoisotopic Mass: 457.75159832
• SMILES: BrC12C3C(C4C(C([C@H]1Br)C3C4)Br)C(=C2)Br
• Canonical SMILES: BrC1C2CC3C1[C@@H](Br)C1(C3C2C(=C1)Br)Br
• InChI: InChI=1S/C11H10Br4/c12-5-2-11(15)8-3-1-4(6(5)8)9(13)7(3)10(11)14/h2-4,6-10H,1H2/t3?,4?,6?,7?,8?,9?,10-,11?/m1/s1
• InChIKey: KRSZSGUJZBJBNK-XQRZNKRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7R)-4,6,7,9-tetrabromotetracyclo[6.3.0.0^{2,6}.0^{3,10}]undec-4-ene
• IUPAC Traditional name: (7R)-4,6,7,9-tetrabromotetracyclo[6.3.0.0^{2,6}.0^{3,10}]undec-4-ene
• Synonyms: 4,6,7,9-tetrabromotetracyclo[6.3.0.0~2,6~.0~3,10~]undec-4-ene

Database IDs

• MDL Number: MFCD06796366
• PubChem SID: 162072071
• PubChem CID: 71299495

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7901332
• LogD (pH = 7.4): 3.7901332
• Log P: 3.7901332
• Molar Refractivity: 75.9506 cm^3
• Polarizability: 29.58695 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true