3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene

C10H17BrO2 — CID 166569639

IUPAC3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene
SMILESCCOC(CBr)OC1C=CCC1C
InChIInChI=1S/C10H17BrO2/c1-3-12-10(7-11)13-9-6-4-5-8(9)2/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyPBFRRZIQKVLNIX-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.73
Rot. Bonds5

About 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene

3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene (PubChem CID 166569639) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene.

Molecular Properties

Compound Name3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene
PubChem CID166569639
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene
SMILESCCOC(CBr)OC1C=CCC1C
InChIInChI=1S/C10H17BrO2/c1-3-12-10(7-11)13-9-6-4-5-8(9)2/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyPBFRRZIQKVLNIX-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene?
The IUPAC name of 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene (CID 166569639) is 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene.
What is the SMILES notation for 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene?
The canonical SMILES for 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene is CCOC(CBr)OC1C=CCC1C.
What is the InChIKey of 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene?
The InChIKey is PBFRRZIQKVLNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-3-12-10(7-11)13-9-6-4-5-8(9)2/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene?
3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene has a molecular weight of 249.15 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-ethoxyethoxy)-4-methylcyclopentene is sourced from PubChem (CID 166569639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).