bromorhenium;carbon monoxide;oxolane

C7H8BrO4Re — CID 11441594

IUPACbromorhenium;carbon monoxide;oxolane
SMILESBr[Re].C1CCOC1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C4H8O.3CO.BrH.Re/c1-2-4-5-3-1;3*1-2;;/h1-4H2;;;;1H;/q;;;;;+1/p-1
InChIKeyZGNLIJXNIRVYKT-UHFFFAOYSA-M
MW422.25 g/mol
LogP1.53
Rot. Bonds

About bromorhenium;carbon monoxide;oxolane

bromorhenium;carbon monoxide;oxolane (PubChem CID 11441594) has the molecular formula C7H8BrO4Re and a molecular weight of 422.25 g/mol. Its IUPAC name is bromorhenium;carbon monoxide;oxolane.

Molecular Properties

Compound Namebromorhenium;carbon monoxide;oxolane
PubChem CID11441594
Molecular FormulaC7H8BrO4Re
Molecular Weight422.25 g/mol
Exact Mass421.92
IUPAC Namebromorhenium;carbon monoxide;oxolane
SMILESBr[Re].C1CCOC1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C4H8O.3CO.BrH.Re/c1-2-4-5-3-1;3*1-2;;/h1-4H2;;;;1H;/q;;;;;+1/p-1
InChIKeyZGNLIJXNIRVYKT-UHFFFAOYSA-M
XLogP1.53
TPSA68.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromorhenium;carbon monoxide;oxolane?
The IUPAC name of bromorhenium;carbon monoxide;oxolane (CID 11441594) is bromorhenium;carbon monoxide;oxolane.
What is the SMILES notation for bromorhenium;carbon monoxide;oxolane?
The canonical SMILES for bromorhenium;carbon monoxide;oxolane is Br[Re].C1CCOC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of bromorhenium;carbon monoxide;oxolane?
The InChIKey is ZGNLIJXNIRVYKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.3CO.BrH.Re/c1-2-4-5-3-1;3*1-2;;/h1-4H2;;;;1H;/q;;;;;+1/p-1.
What are the key properties of bromorhenium;carbon monoxide;oxolane?
bromorhenium;carbon monoxide;oxolane has a molecular weight of 422.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromorhenium;carbon monoxide;oxolane is sourced from PubChem (CID 11441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).