ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid

C6H15BO5 — CID 174823808

IUPACethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid
SMILESCCOB(O)OCCOCCO
InChIInChI=1S/C6H15BO5/c1-2-11-7(9)12-6-5-10-4-3-8/h8-9H,2-6H2,1H3
InChIKeyBGBIXSJYPODZRX-UHFFFAOYSA-N
MW177.99 g/mol
LogP-0.97
Rot. Bonds8

About ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid

ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid (PubChem CID 174823808) has the molecular formula C6H15BO5 and a molecular weight of 177.99 g/mol. Its IUPAC name is ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid.

Molecular Properties

Compound Nameethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid
PubChem CID174823808
Molecular FormulaC6H15BO5
Molecular Weight177.99 g/mol
Exact Mass178.10
IUPAC Nameethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid
SMILESCCOB(O)OCCOCCO
InChIInChI=1S/C6H15BO5/c1-2-11-7(9)12-6-5-10-4-3-8/h8-9H,2-6H2,1H3
InChIKeyBGBIXSJYPODZRX-UHFFFAOYSA-N
XLogP-0.97
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.99
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
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
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
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-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
2-(2-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid?
The IUPAC name of ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid (CID 174823808) is ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid.
What is the SMILES notation for ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid?
The canonical SMILES for ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid is CCOB(O)OCCOCCO.
What is the InChIKey of ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid?
The InChIKey is BGBIXSJYPODZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO5/c1-2-11-7(9)12-6-5-10-4-3-8/h8-9H,2-6H2,1H3.
What are the key properties of ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid?
ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid has a molecular weight of 177.99 g/mol, XLogP of -0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-(2-hydroxyethoxy)ethoxy]borinic acid is sourced from PubChem (CID 174823808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).