bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane

C21H35BrO3SiZn — CID 10929294

IUPACbromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane
SMILESC[Si](C)(C)OC1[C-]=C2C/C(=C/CCCCOC3CCCCO3)CC2C1.[Zn+]Br
InChIInChI=1S/C21H35O3Si.BrH.Zn/c1-25(2,3)24-20-15-18-13-17(14-19(18)16-20)9-5-4-7-11-22-21-10-6-8-12-23-21;;/h9,18,20-21H,4-8,10-15H2,1-3H3;1H;/q-1;;+2/p-1/b17-9+;;
InChIKeyGCSLHWJKECZVOE-CECDQNOMSA-M
MW508.89 g/mol
LogP6.23
Rot. Bonds8

About bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane

bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane (PubChem CID 10929294) has the molecular formula C21H35BrO3SiZn and a molecular weight of 508.89 g/mol. Its IUPAC name is bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane.

Molecular Properties

Compound Namebromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane
PubChem CID10929294
Molecular FormulaC21H35BrO3SiZn
Molecular Weight508.89 g/mol
Exact Mass506.08
IUPAC Namebromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane
SMILESC[Si](C)(C)OC1[C-]=C2C/C(=C/CCCCOC3CCCCO3)CC2C1.[Zn+]Br
InChIInChI=1S/C21H35O3Si.BrH.Zn/c1-25(2,3)24-20-15-18-13-17(14-19(18)16-20)9-5-4-7-11-22-21-10-6-8-12-23-21;;/h9,18,20-21H,4-8,10-15H2,1-3H3;1H;/q-1;;+2/p-1/b17-9+;;
InChIKeyGCSLHWJKECZVOE-CECDQNOMSA-M
XLogP6.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.89
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(5E)-3-iodo-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy-trimethylsilane
CID 10863899
trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane
CID 10929295
tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane
CID 11006551
bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane
CID 15971379

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane?
The IUPAC name of bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane (CID 10929294) is bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane.
What is the SMILES notation for bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane?
The canonical SMILES for bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane is C[Si](C)(C)OC1[C-]=C2C/C(=C/CCCCOC3CCCCO3)CC2C1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane?
The InChIKey is GCSLHWJKECZVOE-CECDQNOMSA-M. The full InChI is InChI=1S/C21H35O3Si.BrH.Zn/c1-25(2,3)24-20-15-18-13-17(14-19(18)16-20)9-5-4-7-11-22-21-10-6-8-12-23-21;;/h9,18,20-21H,4-8,10-15H2,1-3H3;1H;/q-1;;+2/p-1/b17-9+;;.
What are the key properties of bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane?
bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane has a molecular weight of 508.89 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane is sourced from PubChem (CID 10929294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).