2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane

C10H19BrO2 — CID 12388024

IUPAC2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
SMILESCC(C)(C)O/C=C(/OC(C)(C)C)\Br
InChIInChI=1S/C10H19BrO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7+
InChIKeyPQZBFEQZRAKLDC-BQYQJAHWSA-N
MW251.16 g/mol
LogP3.30
Rot. Bonds4

About 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane

2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane (PubChem CID 12388024) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
PubChem CID12388024
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
SMILESCC(C)(C)O/C=C(/OC(C)(C)C)\Br
InChIInChI=1S/C10H19BrO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7+
InChIKeyPQZBFEQZRAKLDC-BQYQJAHWSA-N
XLogP3.30
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity184

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.30
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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Related Compounds

2-methyl-2-[(Z)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 58200167
2-[(Z)-2-bromo-2-propan-2-yloxyethenoxy]propane
CID 12388023
1-[(Z)-2-bromo-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane
CID 12768838
2-({1-Bromo-2-[(propan-2-yl)oxy]ethenyl}oxy)propane
CID 71375057
t-Butyl dibromovinyl ether
CID 129811505
2-[(E)-2-bromo-2-propan-2-yloxyethenoxy]propane
CID 131857156
2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
CID 131857891
1-[(E)-2-bromo-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane
CID 131860377
1-[(E)-2-bromo-2-(2-methylpropoxy)ethenoxy]-2-methylpropane
CID 134893804
2-methyl-2-[(E)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 12388022
2-[(2-tert-Butoxyethenyl)oxy]-2-methylpropane
CID 54358210
2-[(E)-2-ethoxyethenoxy]-2-methylpropane
CID 140001326

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
The IUPAC name of 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane (CID 12388024) is 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane.
What is the SMILES notation for 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
The canonical SMILES for 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane is CC(C)(C)O/C=C(/OC(C)(C)C)\Br.
What is the InChIKey of 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
The InChIKey is PQZBFEQZRAKLDC-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7+.
What are the key properties of 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane has a molecular weight of 251.16 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane is sourced from PubChem (CID 12388024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).