ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C13H15IOSi — CID 12068185

IUPACethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESC#C[Si](C)(C)O[C@H]1c2ccccc2C[C@@H]1I
InChIInChI=1S/C13H15IOSi/c1-4-16(2,3)15-13-11-8-6-5-7-10(11)9-12(13)14/h1,5-8,12-13H,9H2,2-3H3/t12-,13-/m0/s1
InChIKeyIZWAMCUFCRDWPF-STQMWFEESA-N
MW342.25 g/mol
LogP3.48
Rot. Bonds2

About ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 12068185) has the molecular formula C13H15IOSi and a molecular weight of 342.25 g/mol. Its IUPAC name is ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nameethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID12068185
Molecular FormulaC13H15IOSi
Molecular Weight342.25 g/mol
Exact Mass341.99
IUPAC Nameethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESC#C[Si](C)(C)O[C@H]1c2ccccc2C[C@@H]1I
InChIInChI=1S/C13H15IOSi/c1-4-16(2,3)15-13-11-8-6-5-7-10(11)9-12(13)14/h1,5-8,12-13H,9H2,2-3H3/t12-,13-/m0/s1
InChIKeyIZWAMCUFCRDWPF-STQMWFEESA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.48
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'}

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Related Compounds

[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane
CID 12068182
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
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(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

Frequently Asked Questions

What is the IUPAC name of ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 12068185) is ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is C#C[Si](C)(C)O[C@H]1c2ccccc2C[C@@H]1I.
What is the InChIKey of ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is IZWAMCUFCRDWPF-STQMWFEESA-N. The full InChI is InChI=1S/C13H15IOSi/c1-4-16(2,3)15-13-11-8-6-5-7-10(11)9-12(13)14/h1,5-8,12-13H,9H2,2-3H3/t12-,13-/m0/s1.
What are the key properties of ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 342.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 12068185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).