2-(2-bromo-2-propan-2-yloxyethenoxy)propane

C8H15BrO2 — CID 71375057

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

About 2-(2-bromo-2-propan-2-yloxyethenoxy)propane

2-(2-bromo-2-propan-2-yloxyethenoxy)propane (PubChem CID 71375057) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-(2-bromo-2-propan-2-yloxyethenoxy)propane.

Molecular Properties

Compound Name2-(2-bromo-2-propan-2-yloxyethenoxy)propane
PubChem CID71375057
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name2-(2-bromo-2-propan-2-yloxyethenoxy)propane
SMILESCC(C)OC=C(Br)OC(C)C
InChIInChI=1S/C8H15BrO2/c1-6(2)10-5-8(9)11-7(3)4/h5-7H,1-4H3
InChIKeyMOHKJTDPIGHLHA-UHFFFAOYSA-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'}

Analyze 2-(2-bromo-2-propan-2-yloxyethenoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-propan-2-yloxyethenoxy)propane?
The IUPAC name of 2-(2-bromo-2-propan-2-yloxyethenoxy)propane (CID 71375057) is 2-(2-bromo-2-propan-2-yloxyethenoxy)propane.
What is the SMILES notation for 2-(2-bromo-2-propan-2-yloxyethenoxy)propane?
The canonical SMILES for 2-(2-bromo-2-propan-2-yloxyethenoxy)propane is CC(C)OC=C(Br)OC(C)C.
What is the InChIKey of 2-(2-bromo-2-propan-2-yloxyethenoxy)propane?
The InChIKey is MOHKJTDPIGHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2/c1-6(2)10-5-8(9)11-7(3)4/h5-7H,1-4H3.
What are the key properties of 2-(2-bromo-2-propan-2-yloxyethenoxy)propane?
2-(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-(2-bromo-2-propan-2-yloxyethenoxy)propane is sourced from PubChem (CID 71375057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).