1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid

C8H19BO6 — CID 18539415

IUPAC1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid
SMILESCCC(COCCOCCO)OB(O)O
InChIInChI=1S/C8H19BO6/c1-2-8(15-9(11)12)7-14-6-5-13-4-3-10/h8,10-12H,2-7H2,1H3
InChIKeyDHGPXUPURGFERW-UHFFFAOYSA-N
MW222.05 g/mol
LogP-1.22
Rot. Bonds10

About 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid

1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid (PubChem CID 18539415) has the molecular formula C8H19BO6 and a molecular weight of 222.05 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid
PubChem CID18539415
Molecular FormulaC8H19BO6
Molecular Weight222.05 g/mol
Exact Mass222.13
IUPAC Name1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid
SMILESCCC(COCCOCCO)OB(O)O
InChIInChI=1S/C8H19BO6/c1-2-8(15-9(11)12)7-14-6-5-13-4-3-10/h8,10-12H,2-7H2,1H3
InChIKeyDHGPXUPURGFERW-UHFFFAOYSA-N
XLogP-1.22
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol
CID 18724197
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
2-[2-[3-[3-[3-[3-[3-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 59459960
2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172858925
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol
CID 59567842
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid (CID 18539415) is 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid is CCC(COCCOCCO)OB(O)O.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid?
The InChIKey is DHGPXUPURGFERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BO6/c1-2-8(15-9(11)12)7-14-6-5-13-4-3-10/h8,10-12H,2-7H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid?
1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid has a molecular weight of 222.05 g/mol, XLogP of -1.22, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid is sourced from PubChem (CID 18539415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).