(2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane

C7H8Br2 — CID 57379674

IUPAC(2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane
SMILESBr[C@@H]1C[C@@]12C[C@@]21C[C@H]1Br
InChIInChI=1S/C7H8Br2/c8-4-1-6(4)3-7(6)2-5(7)9/h4-5H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyUOHWFCNZKKURQF-DBRKOABJSA-N
MW251.95 g/mol
LogP2.70
Rot. Bonds

About (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane

(2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane (PubChem CID 57379674) has the molecular formula C7H8Br2 and a molecular weight of 251.95 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane
PubChem CID57379674
Molecular FormulaC7H8Br2
Molecular Weight251.95 g/mol
Exact Mass249.90
IUPAC Name(2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane
SMILESBr[C@@H]1C[C@@]12C[C@@]21C[C@H]1Br
InChIInChI=1S/C7H8Br2/c8-4-1-6(4)3-7(6)2-5(7)9/h4-5H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyUOHWFCNZKKURQF-DBRKOABJSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.95
LogP ≤ 52.70
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 (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane?
The IUPAC name of (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane (CID 57379674) is (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane.
What is the SMILES notation for (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane?
The canonical SMILES for (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane is Br[C@@H]1C[C@@]12C[C@@]21C[C@H]1Br.
What is the InChIKey of (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane?
The InChIKey is UOHWFCNZKKURQF-DBRKOABJSA-N. The full InChI is InChI=1S/C7H8Br2/c8-4-1-6(4)3-7(6)2-5(7)9/h4-5H,1-3H2/t4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane?
(2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane has a molecular weight of 251.95 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,5-dibromodispiro[2.0.24.13]heptane is sourced from PubChem (CID 57379674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).