2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane

C8H15BrO2 — CID 131857156

IUPAC2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane
SMILESCC(C)O/C=C(/Br)OC(C)C
InChIInChI=1S/C8H15BrO2/c1-6(2)10-5-8(9)11-7(3)4/h5-7H,1-4H3/b8-5-
InChIKeyMOHKJTDPIGHLHA-YVMONPNESA-N
MW223.11 g/mol
LogP3.03
Rot. Bonds4

About 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane

2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane (PubChem CID 131857156) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane.

Molecular Properties

Compound Name2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane
PubChem CID131857156
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane
SMILESCC(C)O/C=C(/Br)OC(C)C
InChIInChI=1S/C8H15BrO2/c1-6(2)10-5-8(9)11-7(3)4/h5-7H,1-4H3/b8-5-
InChIKeyMOHKJTDPIGHLHA-YVMONPNESA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane?
The IUPAC name of 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane (CID 131857156) is 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane.
What is the SMILES notation for 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane?
The canonical SMILES for 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane is CC(C)O/C=C(/Br)OC(C)C.
What is the InChIKey of 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane?
The InChIKey is MOHKJTDPIGHLHA-YVMONPNESA-N. The full InChI is InChI=1S/C8H15BrO2/c1-6(2)10-5-8(9)11-7(3)4/h5-7H,1-4H3/b8-5-.
What are the key properties of 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane?
2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane has a molecular weight of 223.11 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane is sourced from PubChem (CID 131857156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).