2-bromo-2-(2-hydroxyethoxy)butanal

C6H11BrO3 — CID 141321955

IUPAC2-bromo-2-(2-hydroxyethoxy)butanal
SMILESCCC(Br)(C=O)OCCO
InChIInChI=1S/C6H11BrO3/c1-2-6(7,5-9)10-4-3-8/h5,8H,2-4H2,1H3
InChIKeyRSGWRSJHXLRLDO-UHFFFAOYSA-N
MW211.05 g/mol
LogP0.70
Rot. Bonds5

About 2-bromo-2-(2-hydroxyethoxy)butanal

2-bromo-2-(2-hydroxyethoxy)butanal (PubChem CID 141321955) has the molecular formula C6H11BrO3 and a molecular weight of 211.05 g/mol. Its IUPAC name is 2-bromo-2-(2-hydroxyethoxy)butanal.

Molecular Properties

Compound Name2-bromo-2-(2-hydroxyethoxy)butanal
PubChem CID141321955
Molecular FormulaC6H11BrO3
Molecular Weight211.05 g/mol
Exact Mass209.99
IUPAC Name2-bromo-2-(2-hydroxyethoxy)butanal
SMILESCCC(Br)(C=O)OCCO
InChIInChI=1S/C6H11BrO3/c1-2-6(7,5-9)10-4-3-8/h5,8H,2-4H2,1H3
InChIKeyRSGWRSJHXLRLDO-UHFFFAOYSA-N
XLogP0.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2-hydroxyethoxy)propanal
CID 141321956
3-(2-hydroxyethoxy)pentan-3-ol
CID 150775227
1-(2-hydroxyethoxy)propane-1,1-diol
CID 173391432
2-(1-bromo-1-ethoxyethoxy)ethanol
CID 88660199
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-(2-methoxybutan-2-yloxy)ethanol
CID 139725326
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
2-(2-hydroxyethoxy)-2-methylbutanenitrile
CID 103376048
2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422
4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
CID 123708983
1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol
CID 68830472

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-hydroxyethoxy)butanal?
The IUPAC name of 2-bromo-2-(2-hydroxyethoxy)butanal (CID 141321955) is 2-bromo-2-(2-hydroxyethoxy)butanal.
What is the SMILES notation for 2-bromo-2-(2-hydroxyethoxy)butanal?
The canonical SMILES for 2-bromo-2-(2-hydroxyethoxy)butanal is CCC(Br)(C=O)OCCO.
What is the InChIKey of 2-bromo-2-(2-hydroxyethoxy)butanal?
The InChIKey is RSGWRSJHXLRLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO3/c1-2-6(7,5-9)10-4-3-8/h5,8H,2-4H2,1H3.
What are the key properties of 2-bromo-2-(2-hydroxyethoxy)butanal?
2-bromo-2-(2-hydroxyethoxy)butanal has a molecular weight of 211.05 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-hydroxyethoxy)butanal is sourced from PubChem (CID 141321955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).