1-bromo-3-(1-ethoxyethoxy)cyclopentene

C9H15BrO2 — CID 22749313

IUPAC1-bromo-3-(1-ethoxyethoxy)cyclopentene
SMILESCCOC(C)OC1C=C(Br)CC1
InChIInChI=1S/C9H15BrO2/c1-3-11-7(2)12-9-5-4-8(10)6-9/h6-7,9H,3-5H2,1-2H3
InChIKeyGGXFHZFCJORJJW-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.83
Rot. Bonds4

About 1-bromo-3-(1-ethoxyethoxy)cyclopentene

1-bromo-3-(1-ethoxyethoxy)cyclopentene (PubChem CID 22749313) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is 1-bromo-3-(1-ethoxyethoxy)cyclopentene.

Molecular Properties

Compound Name1-bromo-3-(1-ethoxyethoxy)cyclopentene
PubChem CID22749313
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name1-bromo-3-(1-ethoxyethoxy)cyclopentene
SMILESCCOC(C)OC1C=C(Br)CC1
InChIInChI=1S/C9H15BrO2/c1-3-11-7(2)12-9-5-4-8(10)6-9/h6-7,9H,3-5H2,1-2H3
InChIKeyGGXFHZFCJORJJW-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-ethoxyethoxy)cyclopentene?
The IUPAC name of 1-bromo-3-(1-ethoxyethoxy)cyclopentene (CID 22749313) is 1-bromo-3-(1-ethoxyethoxy)cyclopentene.
What is the SMILES notation for 1-bromo-3-(1-ethoxyethoxy)cyclopentene?
The canonical SMILES for 1-bromo-3-(1-ethoxyethoxy)cyclopentene is CCOC(C)OC1C=C(Br)CC1.
What is the InChIKey of 1-bromo-3-(1-ethoxyethoxy)cyclopentene?
The InChIKey is GGXFHZFCJORJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO2/c1-3-11-7(2)12-9-5-4-8(10)6-9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-bromo-3-(1-ethoxyethoxy)cyclopentene?
1-bromo-3-(1-ethoxyethoxy)cyclopentene has a molecular weight of 235.12 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-ethoxyethoxy)cyclopentene is sourced from PubChem (CID 22749313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).