tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane

C12H25IOSi — CID 24884675

IUPACtert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI
InChIInChI=1S/C12H25IOSi/c1-8-11(10(2)9-13)14-15(6,7)12(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11-/m1/s1
InChIKeyNAWJUFUYVARCBM-GHMZBOCLSA-N
MW340.32 g/mol
LogP4.63
Rot. Bonds5

About tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 24884675) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane
PubChem CID24884675
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Nametert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI
InChIInChI=1S/C12H25IOSi/c1-8-11(10(2)9-13)14-15(6,7)12(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11-/m1/s1
InChIKeyNAWJUFUYVARCBM-GHMZBOCLSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.63
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-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-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane (CID 24884675) is tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI.
What is the InChIKey of tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is NAWJUFUYVARCBM-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-8-11(10(2)9-13)14-15(6,7)12(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 24884675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).