2-bromoethoxycyclopropane

C5H9BrO — CID 89453241

IUPAC2-bromoethoxycyclopropane
SMILESBrCCOC1CC1
InChIInChI=1S/C5H9BrO/c6-3-4-7-5-1-2-5/h5H,1-4H2
InChIKeyPUDYLBJWZUNZOR-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.56
Rot. Bonds3

About 2-bromoethoxycyclopropane

2-bromoethoxycyclopropane (PubChem CID 89453241) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 2-bromoethoxycyclopropane.

Molecular Properties

Compound Name2-bromoethoxycyclopropane
PubChem CID89453241
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name2-bromoethoxycyclopropane
SMILESBrCCOC1CC1
InChIInChI=1S/C5H9BrO/c6-3-4-7-5-1-2-5/h5H,1-4H2
InChIKeyPUDYLBJWZUNZOR-UHFFFAOYSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Bromoethoxy)propane
CID 3830823
1-Bromo-2-ethoxycyclopropane
CID 12937420
(3-Bromopropoxy)cyclopropane
CID 90046503
(2-Bromo-3-fluoropropoxy)cyclopropane
CID 165961807
Bromomethoxycyclopropane
CID 53657768
1-Bromoethoxycyclopropane
CID 67692595
2-(1-Bromoethoxy)propane
CID 87799780
cis-(1S,2R)-1-bromo-2-butoxycyclopropane
CID 90226057
trans-(1S,2S)-1-bromo-2-butoxycyclopropane
CID 118524659
2-(1-Bromoethoxy)butane
CID 174318385
rac-(1R,2R)-1-bromo-2-ethoxycyclopropane
CID 12937421
2-(2-Bromoethoxy)butane
CID 60903169

Frequently Asked Questions

What is the IUPAC name of 2-bromoethoxycyclopropane?
The IUPAC name of 2-bromoethoxycyclopropane (CID 89453241) is 2-bromoethoxycyclopropane.
What is the SMILES notation for 2-bromoethoxycyclopropane?
The canonical SMILES for 2-bromoethoxycyclopropane is BrCCOC1CC1.
What is the InChIKey of 2-bromoethoxycyclopropane?
The InChIKey is PUDYLBJWZUNZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c6-3-4-7-5-1-2-5/h5H,1-4H2.
What are the key properties of 2-bromoethoxycyclopropane?
2-bromoethoxycyclopropane has a molecular weight of 165.03 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxycyclopropane is sourced from PubChem (CID 89453241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).