2-[(Z)-2-bromoethenoxy]propane

C5H9BrO — CID 131242126

IUPAC2-[(Z)-2-bromoethenoxy]propane
SMILESCC(C)O/C=C\Br
InChIInChI=1S/C5H9BrO/c1-5(2)7-4-3-6/h3-5H,1-2H3/b4-3-
InChIKeyGFKHQSMXUPVXFG-ARJAWSKDSA-N
MW165.03 g/mol
LogP2.28
Rot. Bonds2

About 2-[(Z)-2-bromoethenoxy]propane

2-[(Z)-2-bromoethenoxy]propane (PubChem CID 131242126) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 2-[(Z)-2-bromoethenoxy]propane.

Molecular Properties

Compound Name2-[(Z)-2-bromoethenoxy]propane
PubChem CID131242126
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name2-[(Z)-2-bromoethenoxy]propane
SMILESCC(C)O/C=C\Br
InChIInChI=1S/C5H9BrO/c1-5(2)7-4-3-6/h3-5H,1-2H3/b4-3-
InChIKeyGFKHQSMXUPVXFG-ARJAWSKDSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromoethenoxy]propane?
The IUPAC name of 2-[(Z)-2-bromoethenoxy]propane (CID 131242126) is 2-[(Z)-2-bromoethenoxy]propane.
What is the SMILES notation for 2-[(Z)-2-bromoethenoxy]propane?
The canonical SMILES for 2-[(Z)-2-bromoethenoxy]propane is CC(C)O/C=C\Br.
What is the InChIKey of 2-[(Z)-2-bromoethenoxy]propane?
The InChIKey is GFKHQSMXUPVXFG-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9BrO/c1-5(2)7-4-3-6/h3-5H,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-2-bromoethenoxy]propane?
2-[(Z)-2-bromoethenoxy]propane has a molecular weight of 165.03 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromoethenoxy]propane is sourced from PubChem (CID 131242126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).