4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene

C11H19Br — CID 165443080

IUPAC4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene
SMILESCC(C)(C)CC1(CBr)CC=CC1
InChIInChI=1S/C11H19Br/c1-10(2,3)8-11(9-12)6-4-5-7-11/h4-5H,6-9H2,1-3H3
InChIKeyFIKVFPXTQXJTBX-UHFFFAOYSA-N
MW231.18 g/mol
LogP4.15
Rot. Bonds2

About 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene

4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene (PubChem CID 165443080) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene.

Molecular Properties

Compound Name4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene
PubChem CID165443080
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene
SMILESCC(C)(C)CC1(CBr)CC=CC1
InChIInChI=1S/C11H19Br/c1-10(2,3)8-11(9-12)6-4-5-7-11/h4-5H,6-9H2,1-3H3
InChIKeyFIKVFPXTQXJTBX-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.15
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 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene?
The IUPAC name of 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene (CID 165443080) is 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene.
What is the SMILES notation for 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene?
The canonical SMILES for 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene is CC(C)(C)CC1(CBr)CC=CC1.
What is the InChIKey of 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene?
The InChIKey is FIKVFPXTQXJTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-10(2,3)8-11(9-12)6-4-5-7-11/h4-5H,6-9H2,1-3H3.
What are the key properties of 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene?
4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene has a molecular weight of 231.18 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene is sourced from PubChem (CID 165443080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).