5-bromo-5-chloro-5-iodopent-1-ene

C5H7BrClI — CID 154068807

IUPAC5-bromo-5-chloro-5-iodopent-1-ene
SMILESC=CCCC(Cl)(Br)I
InChIInChI=1S/C5H7BrClI/c1-2-3-4-5(6,7)8/h2H,1,3-4H2
InChIKeyZEQMJBPLSSMKEF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-5-chloro-5-iodopent-1-ene

5-bromo-5-chloro-5-iodopent-1-ene (PubChem CID 154068807) has the molecular formula C5H7BrClI and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-bromo-5-chloro-5-iodopent-1-ene.

Molecular Properties

Compound Name5-bromo-5-chloro-5-iodopent-1-ene
PubChem CID154068807
Molecular FormulaC5H7BrClI
Molecular Weight309.37 g/mol
Exact Mass307.85
IUPAC Name5-bromo-5-chloro-5-iodopent-1-ene
SMILESC=CCCC(Cl)(Br)I
InChIInChI=1S/C5H7BrClI/c1-2-3-4-5(6,7)8/h2H,1,3-4H2
InChIKeyZEQMJBPLSSMKEF-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-5-chloro-5-iodopent-1-ene?
The IUPAC name of 5-bromo-5-chloro-5-iodopent-1-ene (CID 154068807) is 5-bromo-5-chloro-5-iodopent-1-ene.
What is the SMILES notation for 5-bromo-5-chloro-5-iodopent-1-ene?
The canonical SMILES for 5-bromo-5-chloro-5-iodopent-1-ene is C=CCCC(Cl)(Br)I.
What is the InChIKey of 5-bromo-5-chloro-5-iodopent-1-ene?
The InChIKey is ZEQMJBPLSSMKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrClI/c1-2-3-4-5(6,7)8/h2H,1,3-4H2.
What are the key properties of 5-bromo-5-chloro-5-iodopent-1-ene?
5-bromo-5-chloro-5-iodopent-1-ene has a molecular weight of 309.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-chloro-5-iodopent-1-ene is sourced from PubChem (CID 154068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).