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

C11H19BrO2 — CID 166569668

IUPAC3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene
SMILESCCCOC(CBr)OC1C=CCC1C
InChIInChI=1S/C11H19BrO2/c1-3-7-13-11(8-12)14-10-6-4-5-9(10)2/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyBXAQSDSCBVYJFA-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.12
Rot. Bonds6

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

3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene (PubChem CID 166569668) has the molecular formula C11H19BrO2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene.

Molecular Properties

Compound Name3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene
PubChem CID166569668
Molecular FormulaC11H19BrO2
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene
SMILESCCCOC(CBr)OC1C=CCC1C
InChIInChI=1S/C11H19BrO2/c1-3-7-13-11(8-12)14-10-6-4-5-9(10)2/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyBXAQSDSCBVYJFA-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.12
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-propoxyethoxy)-4-methylcyclopentene?
The IUPAC name of 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene (CID 166569668) is 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene.
What is the SMILES notation for 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene?
The canonical SMILES for 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene is CCCOC(CBr)OC1C=CCC1C.
What is the InChIKey of 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene?
The InChIKey is BXAQSDSCBVYJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO2/c1-3-7-13-11(8-12)14-10-6-4-5-9(10)2/h4,6,9-11H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene?
3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene has a molecular weight of 263.17 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-propoxyethoxy)-4-methylcyclopentene is sourced from PubChem (CID 166569668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).