(1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane

C9H12Br2 — CID 15248260

IUPAC(1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane
SMILESBr[C@@H]1[C@@H]2CC[C@@H]([C@@H]2Br)[C@H]2C[C@H]12
InChIInChI=1S/C9H12Br2/c10-8-4-1-2-5(8)9(11)7-3-6(4)7/h4-9H,1-3H2/t4-,5-,6-,7+,8+,9-/m1/s1
InChIKeyHOWGOVGSIQPAIS-CMLZIERQSA-N
MW280.00 g/mol
LogP3.19
Rot. Bonds

About (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane

(1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane (PubChem CID 15248260) has the molecular formula C9H12Br2 and a molecular weight of 280.00 g/mol. Its IUPAC name is (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane.

Molecular Properties

Compound Name(1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane
PubChem CID15248260
Molecular FormulaC9H12Br2
Molecular Weight280.00 g/mol
Exact Mass277.93
IUPAC Name(1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane
SMILESBr[C@@H]1[C@@H]2CC[C@@H]([C@@H]2Br)[C@H]2C[C@H]12
InChIInChI=1S/C9H12Br2/c10-8-4-1-2-5(8)9(11)7-3-6(4)7/h4-9H,1-3H2/t4-,5-,6-,7+,8+,9-/m1/s1
InChIKeyHOWGOVGSIQPAIS-CMLZIERQSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.00
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane?
The IUPAC name of (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane (CID 15248260) is (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane.
What is the SMILES notation for (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane?
The canonical SMILES for (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane is Br[C@@H]1[C@@H]2CC[C@@H]([C@@H]2Br)[C@H]2C[C@H]12.
What is the InChIKey of (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane?
The InChIKey is HOWGOVGSIQPAIS-CMLZIERQSA-N. The full InChI is InChI=1S/C9H12Br2/c10-8-4-1-2-5(8)9(11)7-3-6(4)7/h4-9H,1-3H2/t4-,5-,6-,7+,8+,9-/m1/s1.
What are the key properties of (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane?
(1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane has a molecular weight of 280.00 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane is sourced from PubChem (CID 15248260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).