1-(2-bromoethoxy)-2-methylpropane

C6H13BrO — CID 15752578

IUPAC1-(2-bromoethoxy)-2-methylpropane
SMILESCC(C)COCCBr
InChIInChI=1S/C6H13BrO/c1-6(2)5-8-4-3-7/h6H,3-5H2,1-2H3
InChIKeyWXZQNJCVYHJEIK-UHFFFAOYSA-N
MW181.07 g/mol
LogP2.05
Rot. Bonds4

About 1-(2-bromoethoxy)-2-methylpropane

1-(2-bromoethoxy)-2-methylpropane (PubChem CID 15752578) has the molecular formula C6H13BrO and a molecular weight of 181.07 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2-methylpropane.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2-methylpropane
PubChem CID15752578
Molecular FormulaC6H13BrO
Molecular Weight181.07 g/mol
Exact Mass180.01
IUPAC Name1-(2-bromoethoxy)-2-methylpropane
SMILESCC(C)COCCBr
InChIInChI=1S/C6H13BrO/c1-6(2)5-8-4-3-7/h6H,3-5H2,1-2H3
InChIKeyWXZQNJCVYHJEIK-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromoethyl ethyl ether
CID 61141
1-Bromo-3-ethoxypropane
CID 260493
1-(2-Bromoethoxy)propane
CID 2734184
2-Butoxyethyl bromide
CID 138761
1-Bromo-3-methoxy-2-methylpropane
CID 21284814
2-Bromo-1-ethoxypropane
CID 21312777
1-(2-Bromoethoxy)-3-methylbutane
CID 24688567
2-(2-Bromoethoxy)-2-methylpropane
CID 12359283
1-Bromo-1-ethoxyethane
CID 14547915
1-Bromoethyl butyl ether
CID 20981439
Ethyl alpha-bromoisobutylate
CID 88427072
Ethyl 2-bromo-isobutylate
CID 91419243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-2-methylpropane?
The IUPAC name of 1-(2-bromoethoxy)-2-methylpropane (CID 15752578) is 1-(2-bromoethoxy)-2-methylpropane.
What is the SMILES notation for 1-(2-bromoethoxy)-2-methylpropane?
The canonical SMILES for 1-(2-bromoethoxy)-2-methylpropane is CC(C)COCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-2-methylpropane?
The InChIKey is WXZQNJCVYHJEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO/c1-6(2)5-8-4-3-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2-bromoethoxy)-2-methylpropane?
1-(2-bromoethoxy)-2-methylpropane has a molecular weight of 181.07 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2-methylpropane is sourced from PubChem (CID 15752578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).