5-bromopent-2-en-2-ylcyclopentane

C10H17Br — CID 72698250

IUPAC5-bromopent-2-en-2-ylcyclopentane
SMILESCC(=CCCBr)C1CCCC1
InChIInChI=1S/C10H17Br/c1-9(5-4-8-11)10-6-2-3-7-10/h5,10H,2-4,6-8H2,1H3
InChIKeyYQRMDZOGUSGYHH-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.91
Rot. Bonds3

About 5-bromopent-2-en-2-ylcyclopentane

5-bromopent-2-en-2-ylcyclopentane (PubChem CID 72698250) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 5-bromopent-2-en-2-ylcyclopentane.

Molecular Properties

Compound Name5-bromopent-2-en-2-ylcyclopentane
PubChem CID72698250
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name5-bromopent-2-en-2-ylcyclopentane
SMILESCC(=CCCBr)C1CCCC1
InChIInChI=1S/C10H17Br/c1-9(5-4-8-11)10-6-2-3-7-10/h5,10H,2-4,6-8H2,1H3
InChIKeyYQRMDZOGUSGYHH-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.91
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 5-bromopent-2-en-2-ylcyclopentane?
The IUPAC name of 5-bromopent-2-en-2-ylcyclopentane (CID 72698250) is 5-bromopent-2-en-2-ylcyclopentane.
What is the SMILES notation for 5-bromopent-2-en-2-ylcyclopentane?
The canonical SMILES for 5-bromopent-2-en-2-ylcyclopentane is CC(=CCCBr)C1CCCC1.
What is the InChIKey of 5-bromopent-2-en-2-ylcyclopentane?
The InChIKey is YQRMDZOGUSGYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-9(5-4-8-11)10-6-2-3-7-10/h5,10H,2-4,6-8H2,1H3.
What are the key properties of 5-bromopent-2-en-2-ylcyclopentane?
5-bromopent-2-en-2-ylcyclopentane has a molecular weight of 217.15 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopent-2-en-2-ylcyclopentane is sourced from PubChem (CID 72698250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).