[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane

C20H20BrP — CID 57379174

IUPAC[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane
SMILESBr[C@@H]1C[C@@]12C[C@]21C[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20BrP/c21-18-12-20(18)14-19(20)11-15(19)13-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t15-,18+,19-,20+/m0/s1
InChIKeyCUIVFAYHEJQDTO-JOCLIGHLSA-N
MW371.26 g/mol
LogP4.68
Rot. Bonds4

About [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane

[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane (PubChem CID 57379174) has the molecular formula C20H20BrP and a molecular weight of 371.26 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane
PubChem CID57379174
Molecular FormulaC20H20BrP
Molecular Weight371.26 g/mol
Exact Mass370.05
IUPAC Name[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane
SMILESBr[C@@H]1C[C@@]12C[C@]21C[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20BrP/c21-18-12-20(18)14-19(20)11-15(19)13-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t15-,18+,19-,20+/m0/s1
InChIKeyCUIVFAYHEJQDTO-JOCLIGHLSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane?
The IUPAC name of [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane (CID 57379174) is [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane is Br[C@@H]1C[C@@]12C[C@]21C[C@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane?
The InChIKey is CUIVFAYHEJQDTO-JOCLIGHLSA-N. The full InChI is InChI=1S/C20H20BrP/c21-18-12-20(18)14-19(20)11-15(19)13-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t15-,18+,19-,20+/m0/s1.
What are the key properties of [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane?
[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane has a molecular weight of 371.26 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 57379174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).