tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane

C10H23IOSi — CID 10946949

IUPACtert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
SMILESC[C@@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23IOSi/c1-9(7-8-11)12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyKMZZHZPGWRWKGX-VIFPVBQESA-N
MW314.28 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane (PubChem CID 10946949) has the molecular formula C10H23IOSi and a molecular weight of 314.28 g/mol. Its IUPAC name is tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
PubChem CID10946949
Molecular FormulaC10H23IOSi
Molecular Weight314.28 g/mol
Exact Mass314.06
IUPAC Nametert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
SMILESC[C@@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23IOSi/c1-9(7-8-11)12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyKMZZHZPGWRWKGX-VIFPVBQESA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-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-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane (CID 10946949) is tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane is C[C@@H](CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane?
The InChIKey is KMZZHZPGWRWKGX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23IOSi/c1-9(7-8-11)12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane has a molecular weight of 314.28 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10946949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).