1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane

C10H19BrO2 — CID 134893804

IUPAC1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane
SMILESCC(C)CO/C=C(/Br)OCC(C)C
InChIInChI=1S/C10H19BrO2/c1-8(2)5-12-7-10(11)13-6-9(3)4/h7-9H,5-6H2,1-4H3/b10-7-
InChIKeyQXRPVTFTZBPZRP-YFHOEESVSA-N
MW251.16 g/mol
LogP3.53
Rot. Bonds6

About 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane

1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane (PubChem CID 134893804) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane.

Molecular Properties

Compound Name1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane
PubChem CID134893804
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane
SMILESCC(C)CO/C=C(/Br)OCC(C)C
InChIInChI=1S/C10H19BrO2/c1-8(2)5-12-7-10(11)13-6-9(3)4/h7-9H,5-6H2,1-4H3/b10-7-
InChIKeyQXRPVTFTZBPZRP-YFHOEESVSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane 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 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane?
The IUPAC name of 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane (CID 134893804) is 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane.
What is the SMILES notation for 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane?
The canonical SMILES for 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane is CC(C)CO/C=C(/Br)OCC(C)C.
What is the InChIKey of 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane?
The InChIKey is QXRPVTFTZBPZRP-YFHOEESVSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-8(2)5-12-7-10(11)13-6-9(3)4/h7-9H,5-6H2,1-4H3/b10-7-.
What are the key properties of 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane?
1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane has a molecular weight of 251.16 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane is sourced from PubChem (CID 134893804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).