5-bromo-3-ethyl-3-methylcyclopentene

C8H13Br — CID 12937435

IUPAC5-bromo-3-ethyl-3-methylcyclopentene
SMILESCCC1(C)C=CC(Br)C1
InChIInChI=1S/C8H13Br/c1-3-8(2)5-4-7(9)6-8/h4-5,7H,3,6H2,1-2H3
InChIKeyRKXHYSODVVVJFD-UHFFFAOYSA-N
MW189.10 g/mol
LogP3.13
Rot. Bonds1

About 5-bromo-3-ethyl-3-methylcyclopentene

5-bromo-3-ethyl-3-methylcyclopentene (PubChem CID 12937435) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is 5-bromo-3-ethyl-3-methylcyclopentene.

Molecular Properties

Compound Name5-bromo-3-ethyl-3-methylcyclopentene
PubChem CID12937435
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name5-bromo-3-ethyl-3-methylcyclopentene
SMILESCCC1(C)C=CC(Br)C1
InChIInChI=1S/C8H13Br/c1-3-8(2)5-4-7(9)6-8/h4-5,7H,3,6H2,1-2H3
InChIKeyRKXHYSODVVVJFD-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.13
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

1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
3-bromo-2-ethyl-2-methyloxirane
CID 141187885
(3S,5S)-3,5-dibromocyclopentene
CID 101354603
2-ethyl-2-methyladamantane
CID 21349236
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
3,4-diethyl-3,4-dimethylcyclobutene
CID 123792676
1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane
CID 123154138
1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane
CID 123542377
1-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752832

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-3-methylcyclopentene?
The IUPAC name of 5-bromo-3-ethyl-3-methylcyclopentene (CID 12937435) is 5-bromo-3-ethyl-3-methylcyclopentene.
What is the SMILES notation for 5-bromo-3-ethyl-3-methylcyclopentene?
The canonical SMILES for 5-bromo-3-ethyl-3-methylcyclopentene is CCC1(C)C=CC(Br)C1.
What is the InChIKey of 5-bromo-3-ethyl-3-methylcyclopentene?
The InChIKey is RKXHYSODVVVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br/c1-3-8(2)5-4-7(9)6-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-bromo-3-ethyl-3-methylcyclopentene?
5-bromo-3-ethyl-3-methylcyclopentene has a molecular weight of 189.10 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-3-methylcyclopentene is sourced from PubChem (CID 12937435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).