1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane

C9H18Br2O2 — CID 79453199

IUPAC1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
SMILESCOCCOCCC(C)(CBr)CBr
InChIInChI=1S/C9H18Br2O2/c1-9(7-10,8-11)3-4-13-6-5-12-2/h3-8H2,1-2H3
InChIKeyRYKWMGYGTXRXOL-UHFFFAOYSA-N
MW318.05 g/mol
LogP2.84
Rot. Bonds8

About 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane

1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane (PubChem CID 79453199) has the molecular formula C9H18Br2O2 and a molecular weight of 318.05 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
PubChem CID79453199
Molecular FormulaC9H18Br2O2
Molecular Weight318.05 g/mol
Exact Mass315.97
IUPAC Name1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
SMILESCOCCOCCC(C)(CBr)CBr
InChIInChI=1S/C9H18Br2O2/c1-9(7-10,8-11)3-4-13-6-5-12-2/h3-8H2,1-2H3
InChIKeyRYKWMGYGTXRXOL-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.05
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
CID 66050495
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722
1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane
CID 79453623
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3,4-dimethylpentane
CID 104568791
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
CID 104566477
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane
CID 79452780
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
CID 171854698
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane?
The IUPAC name of 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane (CID 79453199) is 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane is COCCOCCC(C)(CBr)CBr.
What is the InChIKey of 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane?
The InChIKey is RYKWMGYGTXRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br2O2/c1-9(7-10,8-11)3-4-13-6-5-12-2/h3-8H2,1-2H3.
What are the key properties of 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane?
1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane has a molecular weight of 318.05 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane is sourced from PubChem (CID 79453199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).