[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid

C11H25BO3Si — CID 169092266

IUPAC[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)OCCC1CC1B(O)O
InChIInChI=1S/C11H25BO3Si/c1-11(2,3)16(4,5)15-7-6-9-8-10(9)12(13)14/h9-10,13-14H,6-8H2,1-5H3
InChIKeyCAMFVLXQVZOXFZ-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.26
Rot. Bonds5

About [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid

[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid (PubChem CID 169092266) has the molecular formula C11H25BO3Si and a molecular weight of 244.22 g/mol. Its IUPAC name is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid.

Molecular Properties

Compound Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid
PubChem CID169092266
Molecular FormulaC11H25BO3Si
Molecular Weight244.22 g/mol
Exact Mass244.17
IUPAC Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)OCCC1CC1B(O)O
InChIInChI=1S/C11H25BO3Si/c1-11(2,3)16(4,5)15-7-6-9-8-10(9)12(13)14/h9-10,13-14H,6-8H2,1-5H3
InChIKeyCAMFVLXQVZOXFZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid?
The IUPAC name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid (CID 169092266) is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid.
What is the SMILES notation for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid?
The canonical SMILES for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid is CC(C)(C)[Si](C)(C)OCCC1CC1B(O)O.
What is the InChIKey of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid?
The InChIKey is CAMFVLXQVZOXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BO3Si/c1-11(2,3)16(4,5)15-7-6-9-8-10(9)12(13)14/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid?
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid has a molecular weight of 244.22 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid is sourced from PubChem (CID 169092266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).