2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol

C12H25BrO4 — CID 12597907

IUPAC2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol
SMILESCCCC(C)(CBr)OCCOCCOCCO
InChIInChI=1S/C12H25BrO4/c1-3-4-12(2,11-13)17-10-9-16-8-7-15-6-5-14/h14H,3-11H2,1-2H3
InChIKeyGHPGGOXZBHJQSE-UHFFFAOYSA-N
MW313.23 g/mol
LogP1.98
Rot. Bonds12

About 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol

2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol (PubChem CID 12597907) has the molecular formula C12H25BrO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol
PubChem CID12597907
Molecular FormulaC12H25BrO4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol
SMILESCCCC(C)(CBr)OCCOCCOCCO
InChIInChI=1S/C12H25BrO4/c1-3-4-12(2,11-13)17-10-9-16-8-7-15-6-5-14/h14H,3-11H2,1-2H3
InChIKeyGHPGGOXZBHJQSE-UHFFFAOYSA-N
XLogP1.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
CID 166943275
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026
2-methoxypentan-2-ol;2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 158292542
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol
CID 142712379
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
2-(4,7-dimethyloctan-4-yloxy)ethanol
CID 142712645
calcium;hydride;2-propoxyethanol
CID 174734380
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol (CID 12597907) is 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol is CCCC(C)(CBr)OCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol?
The InChIKey is GHPGGOXZBHJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrO4/c1-3-4-12(2,11-13)17-10-9-16-8-7-15-6-5-14/h14H,3-11H2,1-2H3.
What are the key properties of 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol?
2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol has a molecular weight of 313.23 g/mol, XLogP of 1.98, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol is sourced from PubChem (CID 12597907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).