4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene

C11H17Br — CID 165445962

IUPAC4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene
SMILESC=CC(C)(CBr)CC1CC=CC1
InChIInChI=1S/C11H17Br/c1-3-11(2,9-12)8-10-6-4-5-7-10/h3-5,10H,1,6-9H2,2H3
InChIKeyACVCQMABMBTTRR-UHFFFAOYSA-N
MW229.16 g/mol
LogP3.93
Rot. Bonds4

About 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene

4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene (PubChem CID 165445962) has the molecular formula C11H17Br and a molecular weight of 229.16 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene
PubChem CID165445962
Molecular FormulaC11H17Br
Molecular Weight229.16 g/mol
Exact Mass228.05
IUPAC Name4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene
SMILESC=CC(C)(CBr)CC1CC=CC1
InChIInChI=1S/C11H17Br/c1-3-11(2,9-12)8-10-6-4-5-7-10/h3-5,10H,1,6-9H2,2H3
InChIKeyACVCQMABMBTTRR-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 53.93
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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Related Compounds

[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane
CID 86036978
2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane
CID 103142758
3-(bromomethyl)-3-methylhepta-1,6-diene
CID 165447101
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
4-(3-bromo-2-methylpropyl)cyclopentene
CID 165445923
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene
CID 102642324
1-bromo-2-[2-(bromomethyl)-2-methylbut-3-enyl]benzene
CID 102642227
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene
CID 102642184
1-[3-(bromomethyl)-3-methylpent-4-enoxy]-2-ethoxybenzene
CID 102642202
2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-ethylthiophene
CID 102642284
N-(cyclopent-3-en-1-ylmethyl)-2-methylpropan-2-amine
CID 65353678
1-bromo-2-methylbut-3-en-2-ol
CID 551234

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene?
The IUPAC name of 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene (CID 165445962) is 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene.
What is the SMILES notation for 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene?
The canonical SMILES for 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene is C=CC(C)(CBr)CC1CC=CC1.
What is the InChIKey of 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene?
The InChIKey is ACVCQMABMBTTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br/c1-3-11(2,9-12)8-10-6-4-5-7-10/h3-5,10H,1,6-9H2,2H3.
What are the key properties of 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene?
4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene has a molecular weight of 229.16 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene is sourced from PubChem (CID 165445962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).