tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane

C15H28O3Si — CID 56595070

IUPACtert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-9-12-13(18-15(5,6)17-12)10-11-16-19(7,8)14(2,3)4/h1,12-13H,10-11H2,2-8H3/t12-,13-/m1/s1
InChIKeyFQRDTGKDMIYRNZ-CHWSQXEVSA-N
MW284.47 g/mol
LogP3.55
Rot. Bonds4

About tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane (PubChem CID 56595070) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
PubChem CID56595070
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-9-12-13(18-15(5,6)17-12)10-11-16-19(7,8)14(2,3)4/h1,12-13H,10-11H2,2-8H3/t12-,13-/m1/s1
InChIKeyFQRDTGKDMIYRNZ-CHWSQXEVSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane 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 tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane (CID 56595070) is tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane is C#C[C@H]1OC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
The InChIKey is FQRDTGKDMIYRNZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-9-12-13(18-15(5,6)17-12)10-11-16-19(7,8)14(2,3)4/h1,12-13H,10-11H2,2-8H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 56595070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).