[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane

C16H23IOSi2 — CID 12068182

IUPAC[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane
SMILESC[Si](C)(C)C#C[Si](C)(C)O[C@H]1c2ccccc2C[C@@H]1I
InChIInChI=1S/C16H23IOSi2/c1-19(2,3)10-11-20(4,5)18-16-14-9-7-6-8-13(14)12-15(16)17/h6-9,15-16H,12H2,1-5H3/t15-,16-/m0/s1
InChIKeyQBZAHDOFOLDYRR-HOTGVXAUSA-N
MW414.44 g/mol
LogP4.73
Rot. Bonds2

About [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane

[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane (PubChem CID 12068182) has the molecular formula C16H23IOSi2 and a molecular weight of 414.44 g/mol. Its IUPAC name is [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane.

Molecular Properties

Compound Name[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane
PubChem CID12068182
Molecular FormulaC16H23IOSi2
Molecular Weight414.44 g/mol
Exact Mass414.03
IUPAC Name[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane
SMILESC[Si](C)(C)C#C[Si](C)(C)O[C@H]1c2ccccc2C[C@@H]1I
InChIInChI=1S/C16H23IOSi2/c1-19(2,3)10-11-20(4,5)18-16-14-9-7-6-8-13(14)12-15(16)17/h6-9,15-16H,12H2,1-5H3/t15-,16-/m0/s1
InChIKeyQBZAHDOFOLDYRR-HOTGVXAUSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.73
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': 'triple_bond', 'substructure': 'N/A'}

Analyze [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 12068185
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane
CID 10565906
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
CID 11986180
2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-amine
CID 76789433
(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
CID 71027765
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane?
The IUPAC name of [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane (CID 12068182) is [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane.
What is the SMILES notation for [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane?
The canonical SMILES for [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane is C[Si](C)(C)C#C[Si](C)(C)O[C@H]1c2ccccc2C[C@@H]1I.
What is the InChIKey of [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane?
The InChIKey is QBZAHDOFOLDYRR-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H23IOSi2/c1-19(2,3)10-11-20(4,5)18-16-14-9-7-6-8-13(14)12-15(16)17/h6-9,15-16H,12H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane?
[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane has a molecular weight of 414.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane is sourced from PubChem (CID 12068182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).