3-(2-bromoethoxy)prop-1-ene

C5H9BrO — CID 4065630

IUPAC3-(2-bromoethoxy)prop-1-ene
SMILESC=CCOCCBr
InChIInChI=1S/C5H9BrO/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKeyRVQSWGCPAYJSNC-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.58
Rot. Bonds4

About 3-(2-bromoethoxy)prop-1-ene

3-(2-bromoethoxy)prop-1-ene (PubChem CID 4065630) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 3-(2-bromoethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(2-bromoethoxy)prop-1-ene
PubChem CID4065630
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name3-(2-bromoethoxy)prop-1-ene
SMILESC=CCOCCBr
InChIInChI=1S/C5H9BrO/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKeyRVQSWGCPAYJSNC-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-bromoethoxy)prop-1-ene?
The IUPAC name of 3-(2-bromoethoxy)prop-1-ene (CID 4065630) is 3-(2-bromoethoxy)prop-1-ene.
What is the SMILES notation for 3-(2-bromoethoxy)prop-1-ene?
The canonical SMILES for 3-(2-bromoethoxy)prop-1-ene is C=CCOCCBr.
What is the InChIKey of 3-(2-bromoethoxy)prop-1-ene?
The InChIKey is RVQSWGCPAYJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c1-2-4-7-5-3-6/h2H,1,3-5H2.
What are the key properties of 3-(2-bromoethoxy)prop-1-ene?
3-(2-bromoethoxy)prop-1-ene has a molecular weight of 165.03 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)prop-1-ene is sourced from PubChem (CID 4065630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).