bis(dibromorhenium);bis(ethane-1,1-diol)

C4H12Br4O4Re2 — CID 5231293

IUPACbis(dibromorhenium);bis(ethane-1,1-diol)
SMILESBr[Re]Br.Br[Re]Br.CC(O)O.CC(O)O
InChIInChI=1S/2C2H6O2.4BrH.2Re/c2*1-2(3)4;;;;;;/h2*2-4H,1H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyHJJPWBGOADXPMT-UHFFFAOYSA-J
MW816.17 g/mol
LogP2.01
Rot. Bonds

About bis(dibromorhenium);bis(ethane-1,1-diol)

bis(dibromorhenium);bis(ethane-1,1-diol) (PubChem CID 5231293) has the molecular formula C4H12Br4O4Re2 and a molecular weight of 816.17 g/mol. Its IUPAC name is bis(dibromorhenium);bis(ethane-1,1-diol).

Molecular Properties

Compound Namebis(dibromorhenium);bis(ethane-1,1-diol)
PubChem CID5231293
Molecular FormulaC4H12Br4O4Re2
Molecular Weight816.17 g/mol
Exact Mass813.66
IUPAC Namebis(dibromorhenium);bis(ethane-1,1-diol)
SMILESBr[Re]Br.Br[Re]Br.CC(O)O.CC(O)O
InChIInChI=1S/2C2H6O2.4BrH.2Re/c2*1-2(3)4;;;;;;/h2*2-4H,1H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyHJJPWBGOADXPMT-UHFFFAOYSA-J
XLogP2.01
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500816.17
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dibromorhenium);bis(ethane-1,1-diol)?
The IUPAC name of bis(dibromorhenium);bis(ethane-1,1-diol) (CID 5231293) is bis(dibromorhenium);bis(ethane-1,1-diol).
What is the SMILES notation for bis(dibromorhenium);bis(ethane-1,1-diol)?
The canonical SMILES for bis(dibromorhenium);bis(ethane-1,1-diol) is Br[Re]Br.Br[Re]Br.CC(O)O.CC(O)O.
What is the InChIKey of bis(dibromorhenium);bis(ethane-1,1-diol)?
The InChIKey is HJJPWBGOADXPMT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H6O2.4BrH.2Re/c2*1-2(3)4;;;;;;/h2*2-4H,1H3;4*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(dibromorhenium);bis(ethane-1,1-diol)?
bis(dibromorhenium);bis(ethane-1,1-diol) has a molecular weight of 816.17 g/mol, XLogP of 2.01, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibromorhenium);bis(ethane-1,1-diol) is sourced from PubChem (CID 5231293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).