1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane

C11H23BrO3 — CID 104561196

IUPAC1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane
SMILESCOCCOCCOCCC(C)CCBr
InChIInChI=1S/C11H23BrO3/c1-11(3-5-12)4-6-14-9-10-15-8-7-13-2/h11H,3-10H2,1-2H3
InChIKeyRKGQYDKOVODOQI-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.48
Rot. Bonds11

About 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane

1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane (PubChem CID 104561196) has the molecular formula C11H23BrO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane.

Molecular Properties

Compound Name1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane
PubChem CID104561196
Molecular FormulaC11H23BrO3
Molecular Weight283.21 g/mol
Exact Mass282.08
IUPAC Name1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane
SMILESCOCCOCCOCCC(C)CCBr
InChIInChI=1S/C11H23BrO3/c1-11(3-5-12)4-6-14-9-10-15-8-7-13-2/h11H,3-10H2,1-2H3
InChIKeyRKGQYDKOVODOQI-UHFFFAOYSA-N
XLogP2.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
4-bromo-1-methoxy-2-methylbutane
CID 115625046
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane
CID 104568738
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol
CID 103176253
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-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
2-(2-methoxyethoxy)ethyl-trimethylphosphanium
CID 88850775
1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
CID 171854698

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane?
The IUPAC name of 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane (CID 104561196) is 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane.
What is the SMILES notation for 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane?
The canonical SMILES for 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane is COCCOCCOCCC(C)CCBr.
What is the InChIKey of 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane?
The InChIKey is RKGQYDKOVODOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO3/c1-11(3-5-12)4-6-14-9-10-15-8-7-13-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane?
1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane has a molecular weight of 283.21 g/mol, XLogP of 2.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane is sourced from PubChem (CID 104561196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).