1,8,8-tribromobicyclo[5.1.0]octane

C8H11Br3 — CID 22146558

IUPAC1,8,8-tribromobicyclo[5.1.0]octane
SMILESBrC1(Br)C2CCCCCC21Br
InChIInChI=1S/C8H11Br3/c9-7-5-3-1-2-4-6(7)8(7,10)11/h6H,1-5H2
InChIKeyWTSNHJZLYZBAPJ-UHFFFAOYSA-N
MW346.89 g/mol
LogP4.20
Rot. Bonds

About 1,8,8-tribromobicyclo[5.1.0]octane

1,8,8-tribromobicyclo[5.1.0]octane (PubChem CID 22146558) has the molecular formula C8H11Br3 and a molecular weight of 346.89 g/mol. Its IUPAC name is 1,8,8-tribromobicyclo[5.1.0]octane.

Molecular Properties

Compound Name1,8,8-tribromobicyclo[5.1.0]octane
PubChem CID22146558
Molecular FormulaC8H11Br3
Molecular Weight346.89 g/mol
Exact Mass343.84
IUPAC Name1,8,8-tribromobicyclo[5.1.0]octane
SMILESBrC1(Br)C2CCCCCC21Br
InChIInChI=1S/C8H11Br3/c9-7-5-3-1-2-4-6(7)8(7,10)11/h6H,1-5H2
InChIKeyWTSNHJZLYZBAPJ-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 54.20
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 1,8,8-tribromobicyclo[5.1.0]octane?
The IUPAC name of 1,8,8-tribromobicyclo[5.1.0]octane (CID 22146558) is 1,8,8-tribromobicyclo[5.1.0]octane.
What is the SMILES notation for 1,8,8-tribromobicyclo[5.1.0]octane?
The canonical SMILES for 1,8,8-tribromobicyclo[5.1.0]octane is BrC1(Br)C2CCCCCC21Br.
What is the InChIKey of 1,8,8-tribromobicyclo[5.1.0]octane?
The InChIKey is WTSNHJZLYZBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br3/c9-7-5-3-1-2-4-6(7)8(7,10)11/h6H,1-5H2.
What are the key properties of 1,8,8-tribromobicyclo[5.1.0]octane?
1,8,8-tribromobicyclo[5.1.0]octane has a molecular weight of 346.89 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-tribromobicyclo[5.1.0]octane is sourced from PubChem (CID 22146558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).