3,5-bis(2-bromoethyl)cyclopentene

C9H14Br2 — CID 101318896

IUPAC3,5-bis(2-bromoethyl)cyclopentene
SMILESBrCCC1C=CC(CCBr)C1
InChIInChI=1S/C9H14Br2/c10-5-3-8-1-2-9(7-8)4-6-11/h1-2,8-9H,3-7H2
InChIKeyJSMJHXUEAGYWJX-UHFFFAOYSA-N
MW282.02 g/mol
LogP3.75
Rot. Bonds4

About 3,5-bis(2-bromoethyl)cyclopentene

3,5-bis(2-bromoethyl)cyclopentene (PubChem CID 101318896) has the molecular formula C9H14Br2 and a molecular weight of 282.02 g/mol. Its IUPAC name is 3,5-bis(2-bromoethyl)cyclopentene.

Molecular Properties

Compound Name3,5-bis(2-bromoethyl)cyclopentene
PubChem CID101318896
Molecular FormulaC9H14Br2
Molecular Weight282.02 g/mol
Exact Mass279.95
IUPAC Name3,5-bis(2-bromoethyl)cyclopentene
SMILESBrCCC1C=CC(CCBr)C1
InChIInChI=1S/C9H14Br2/c10-5-3-8-1-2-9(7-8)4-6-11/h1-2,8-9H,3-7H2
InChIKeyJSMJHXUEAGYWJX-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-bromoethyl)cyclopentene?
The IUPAC name of 3,5-bis(2-bromoethyl)cyclopentene (CID 101318896) is 3,5-bis(2-bromoethyl)cyclopentene.
What is the SMILES notation for 3,5-bis(2-bromoethyl)cyclopentene?
The canonical SMILES for 3,5-bis(2-bromoethyl)cyclopentene is BrCCC1C=CC(CCBr)C1.
What is the InChIKey of 3,5-bis(2-bromoethyl)cyclopentene?
The InChIKey is JSMJHXUEAGYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2/c10-5-3-8-1-2-9(7-8)4-6-11/h1-2,8-9H,3-7H2.
What are the key properties of 3,5-bis(2-bromoethyl)cyclopentene?
3,5-bis(2-bromoethyl)cyclopentene has a molecular weight of 282.02 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-bromoethyl)cyclopentene is sourced from PubChem (CID 101318896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).