bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane

C13H23BrOSiZn — CID 154707914

IUPACbromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane
SMILES[C-]#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1C.[Zn+]Br
InChIInChI=1S/C13H23OSi.BrH.Zn/c1-8-12(11-9-10(11)2)14-15(6,7)13(3,4)5;;/h10-12H,9H2,2-7H3;1H;/q-1;;+2/p-1/t10-,11-,12+;;/m1../s1
InChIKeyBWHLMBGNKYGAMC-OUOKZVDWSA-M
MW368.71 g/mol
LogP4.47
Rot. Bonds3

About bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane

bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane (PubChem CID 154707914) has the molecular formula C13H23BrOSiZn and a molecular weight of 368.71 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane.

Molecular Properties

Compound Namebromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane
PubChem CID154707914
Molecular FormulaC13H23BrOSiZn
Molecular Weight368.71 g/mol
Exact Mass366.00
IUPAC Namebromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane
SMILES[C-]#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1C.[Zn+]Br
InChIInChI=1S/C13H23OSi.BrH.Zn/c1-8-12(11-9-10(11)2)14-15(6,7)13(3,4)5;;/h10-12H,9H2,2-7H3;1H;/q-1;;+2/p-1/t10-,11-,12+;;/m1../s1
InChIKeyBWHLMBGNKYGAMC-OUOKZVDWSA-M
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.71
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane?
The IUPAC name of bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane (CID 154707914) is bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane.
What is the SMILES notation for bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane?
The canonical SMILES for bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane is [C-]#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1C.[Zn+]Br.
What is the InChIKey of bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane?
The InChIKey is BWHLMBGNKYGAMC-OUOKZVDWSA-M. The full InChI is InChI=1S/C13H23OSi.BrH.Zn/c1-8-12(11-9-10(11)2)14-15(6,7)13(3,4)5;;/h10-12H,9H2,2-7H3;1H;/q-1;;+2/p-1/t10-,11-,12+;;/m1../s1.
What are the key properties of bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane?
bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane has a molecular weight of 368.71 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);tert-butyl-dimethyl-[(1R)-1-[(1R,2R)-2-methylcyclopropyl]prop-2-ynoxy]silane is sourced from PubChem (CID 154707914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).