(2-silyloxan-2-yl)oxyboronic acid

C5H13BO4Si — CID 123818208

IUPAC(2-silyloxan-2-yl)oxyboronic acid
SMILESOB(O)OC1([SiH3])CCCCO1
InChIInChI=1S/C5H13BO4Si/c7-6(8)10-5(11)3-1-2-4-9-5/h7-8H,1-4H2,11H3
InChIKeyORICADLMKZPNEP-UHFFFAOYSA-N
MW176.05 g/mol
LogP-1.81
Rot. Bonds2

About (2-silyloxan-2-yl)oxyboronic acid

(2-silyloxan-2-yl)oxyboronic acid (PubChem CID 123818208) has the molecular formula C5H13BO4Si and a molecular weight of 176.05 g/mol. Its IUPAC name is (2-silyloxan-2-yl)oxyboronic acid.

Molecular Properties

Compound Name(2-silyloxan-2-yl)oxyboronic acid
PubChem CID123818208
Molecular FormulaC5H13BO4Si
Molecular Weight176.05 g/mol
Exact Mass176.07
IUPAC Name(2-silyloxan-2-yl)oxyboronic acid
SMILESOB(O)OC1([SiH3])CCCCO1
InChIInChI=1S/C5H13BO4Si/c7-6(8)10-5(11)3-1-2-4-9-5/h7-8H,1-4H2,11H3
InChIKeyORICADLMKZPNEP-UHFFFAOYSA-N
XLogP-1.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(2-silyloxan-2-yl)oxysilane
CID 174849883
dimethyl-(2-silyloxan-2-yl)oxysilane;hydron
CID 174854703
(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate
CID 123835596
hydron;(2-silyloxan-2-yl)silane
CID 174620661
phenyl-(2-silyloxan-2-yl)oxysilane
CID 173035273
(2-silyloxan-2-yl) dodecanoate
CID 174613847
(2-dimethylboranyloxan-2-yl)silane
CID 173367313
N-(2-silyloxan-2-yl)hydroxylamine
CID 173073267
(2-chlorooxan-2-yl)silane
CID 123341870
(2-bromooxan-2-yl)silane
CID 174600222
(2-silyloxan-2-yl)phosphane
CID 123679001
CID 173426758
CID 173426758

Frequently Asked Questions

What is the IUPAC name of (2-silyloxan-2-yl)oxyboronic acid?
The IUPAC name of (2-silyloxan-2-yl)oxyboronic acid (CID 123818208) is (2-silyloxan-2-yl)oxyboronic acid.
What is the SMILES notation for (2-silyloxan-2-yl)oxyboronic acid?
The canonical SMILES for (2-silyloxan-2-yl)oxyboronic acid is OB(O)OC1([SiH3])CCCCO1.
What is the InChIKey of (2-silyloxan-2-yl)oxyboronic acid?
The InChIKey is ORICADLMKZPNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BO4Si/c7-6(8)10-5(11)3-1-2-4-9-5/h7-8H,1-4H2,11H3.
What are the key properties of (2-silyloxan-2-yl)oxyboronic acid?
(2-silyloxan-2-yl)oxyboronic acid has a molecular weight of 176.05 g/mol, XLogP of -1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-silyloxan-2-yl)oxyboronic acid is sourced from PubChem (CID 123818208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).