tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane

C17H35IOSi — CID 70012824

IUPACtert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane
SMILESCCCC1([C@H](CCCI)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H35IOSi/c1-7-11-17(12-9-13-17)15(10-8-14-18)19-20(5,6)16(2,3)4/h15H,7-14H2,1-6H3/t15-/m0/s1
InChIKeyTZIBEJNJKUISBN-HNNXBMFYSA-N
MW410.46 g/mol
LogP6.56
Rot. Bonds8

About tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane

tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane (PubChem CID 70012824) has the molecular formula C17H35IOSi and a molecular weight of 410.46 g/mol. Its IUPAC name is tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane
PubChem CID70012824
Molecular FormulaC17H35IOSi
Molecular Weight410.46 g/mol
Exact Mass410.15
IUPAC Nametert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane
SMILESCCCC1([C@H](CCCI)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H35IOSi/c1-7-11-17(12-9-13-17)15(10-8-14-18)19-20(5,6)16(2,3)4/h15H,7-14H2,1-6H3/t15-/m0/s1
InChIKeyTZIBEJNJKUISBN-HNNXBMFYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 56.56
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-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-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-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane (CID 70012824) is tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane is CCCC1([C@H](CCCI)O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane?
The InChIKey is TZIBEJNJKUISBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H35IOSi/c1-7-11-17(12-9-13-17)15(10-8-14-18)19-20(5,6)16(2,3)4/h15H,7-14H2,1-6H3/t15-/m0/s1.
What are the key properties of tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane?
tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane has a molecular weight of 410.46 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-4-iodo-1-(1-propylcyclobutyl)butoxy]-dimethylsilane is sourced from PubChem (CID 70012824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).