1-bromoethoxycyclopropane

C5H9BrO — CID 67692595

IUPAC1-bromoethoxycyclopropane
SMILESCC(Br)OC1CC1
InChIInChI=1S/C5H9BrO/c1-4(6)7-5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyQOYLJDWUMSXLDX-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.91
Rot. Bonds2

About 1-bromoethoxycyclopropane

1-bromoethoxycyclopropane (PubChem CID 67692595) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 1-bromoethoxycyclopropane.

Molecular Properties

Compound Name1-bromoethoxycyclopropane
PubChem CID67692595
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name1-bromoethoxycyclopropane
SMILESCC(Br)OC1CC1
InChIInChI=1S/C5H9BrO/c1-4(6)7-5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyQOYLJDWUMSXLDX-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromoethoxycyclopropane?
The IUPAC name of 1-bromoethoxycyclopropane (CID 67692595) is 1-bromoethoxycyclopropane.
What is the SMILES notation for 1-bromoethoxycyclopropane?
The canonical SMILES for 1-bromoethoxycyclopropane is CC(Br)OC1CC1.
What is the InChIKey of 1-bromoethoxycyclopropane?
The InChIKey is QOYLJDWUMSXLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c1-4(6)7-5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 1-bromoethoxycyclopropane?
1-bromoethoxycyclopropane has a molecular weight of 165.03 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethoxycyclopropane is sourced from PubChem (CID 67692595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).