3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol

C17H29NO3Si — CID 153428137

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol
SMILESCCOc1cc(C2(O)CC(O[Si](C)(C)C(C)(C)C)C2)ccn1
InChIInChI=1S/C17H29NO3Si/c1-7-20-15-10-13(8-9-18-15)17(19)11-14(12-17)21-22(5,6)16(2,3)4/h8-10,14,19H,7,11-12H2,1-6H3
InChIKeyQBGSZZKHFWUKAX-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.85
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol (PubChem CID 153428137) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol
PubChem CID153428137
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol
SMILESCCOc1cc(C2(O)CC(O[Si](C)(C)C(C)(C)C)C2)ccn1
InChIInChI=1S/C17H29NO3Si/c1-7-20-15-10-13(8-9-18-15)17(19)11-14(12-17)21-22(5,6)16(2,3)4/h8-10,14,19H,7,11-12H2,1-6H3
InChIKeyQBGSZZKHFWUKAX-UHFFFAOYSA-N
XLogP3.85
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol 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 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol (CID 153428137) is 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol is CCOc1cc(C2(O)CC(O[Si](C)(C)C(C)(C)C)C2)ccn1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol?
The InChIKey is QBGSZZKHFWUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-7-20-15-10-13(8-9-18-15)17(19)11-14(12-17)21-22(5,6)16(2,3)4/h8-10,14,19H,7,11-12H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol has a molecular weight of 323.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-(2-ethoxy-4-pyridinyl)cyclobutan-1-ol is sourced from PubChem (CID 153428137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).