1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane

C8H16Br2O — CID 103985337

IUPAC1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
SMILESCCOCC(CC)(CBr)CBr
InChIInChI=1S/C8H16Br2O/c1-3-8(5-9,6-10)7-11-4-2/h3-7H2,1-2H3
InChIKeyKADQAKIXEIHHSS-UHFFFAOYSA-N
MW288.02 g/mol
LogP3.21
Rot. Bonds6

About 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane

1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane (PubChem CID 103985337) has the molecular formula C8H16Br2O and a molecular weight of 288.02 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
PubChem CID103985337
Molecular FormulaC8H16Br2O
Molecular Weight288.02 g/mol
Exact Mass285.96
IUPAC Name1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
SMILESCCOCC(CC)(CBr)CBr
InChIInChI=1S/C8H16Br2O/c1-3-8(5-9,6-10)7-11-4-2/h3-7H2,1-2H3
InChIKeyKADQAKIXEIHHSS-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.02
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;1-ethoxy-2,2-bis(methoxymethyl)butane;vanadium
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4,4-bis(ethoxymethyl)-2-methylhexane
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1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane
CID 90472010
3-(bromomethyl)-3-(hexoxymethyl)pentane
CID 64998360
3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane
CID 112587495
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634
2,2-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
1,3-diethoxy-2,2-bis(ethoxymethyl)propane;tetrakis(N,N-dimethylmethanamine);tetrahydroiodide
CID 173321778
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
CID 106254886
2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
CID 175057771

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane?
The IUPAC name of 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane (CID 103985337) is 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane is CCOCC(CC)(CBr)CBr.
What is the InChIKey of 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane?
The InChIKey is KADQAKIXEIHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2O/c1-3-8(5-9,6-10)7-11-4-2/h3-7H2,1-2H3.
What are the key properties of 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane?
1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane has a molecular weight of 288.02 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane is sourced from PubChem (CID 103985337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).