[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane

C13H17BrOSi — CID 10565906

IUPAC[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)O[C@@H]1c2ccccc2C[C@H]1Br
InChIInChI=1S/C13H17BrOSi/c1-4-16(2,3)15-13-11-8-6-5-7-10(11)9-12(13)14/h4-8,12-13H,1,9H2,2-3H3/t12-,13-/m1/s1
InChIKeyKJCKTHBQVMOGPG-CHWSQXEVSA-N
MW297.27 g/mol
LogP3.99
Rot. Bonds3

About [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane

[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane (PubChem CID 10565906) has the molecular formula C13H17BrOSi and a molecular weight of 297.27 g/mol. Its IUPAC name is [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane
PubChem CID10565906
Molecular FormulaC13H17BrOSi
Molecular Weight297.27 g/mol
Exact Mass296.02
IUPAC Name[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)O[C@@H]1c2ccccc2C[C@H]1Br
InChIInChI=1S/C13H17BrOSi/c1-4-16(2,3)15-13-11-8-6-5-7-10(11)9-12(13)14/h4-8,12-13H,1,9H2,2-3H3/t12-,13-/m1/s1
InChIKeyKJCKTHBQVMOGPG-CHWSQXEVSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.99
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'}

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Related Compounds

(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl] butanoate
CID 139754475
[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl] diphenyl phosphate
CID 11059330
7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
CID 11986180
[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane
CID 12068182
ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 12068185
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 24767136
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
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane?
The IUPAC name of [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane (CID 10565906) is [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane.
What is the SMILES notation for [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane?
The canonical SMILES for [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane is C=C[Si](C)(C)O[C@@H]1c2ccccc2C[C@H]1Br.
What is the InChIKey of [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane?
The InChIKey is KJCKTHBQVMOGPG-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H17BrOSi/c1-4-16(2,3)15-13-11-8-6-5-7-10(11)9-12(13)14/h4-8,12-13H,1,9H2,2-3H3/t12-,13-/m1/s1.
What are the key properties of [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane?
[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane has a molecular weight of 297.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl]oxy-ethenyl-dimethylsilane is sourced from PubChem (CID 10565906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).