tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane

C17H34I2OSi2 — CID 11734445

IUPACtert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC/C(=C(/I)[Si](C)(C)C)[C@@H]1CI
InChIInChI=1S/C17H34I2OSi2/c1-17(2,3)22(7,8)20-15-11-9-10-13(14(15)12-18)16(19)21(4,5)6/h14-15H,9-12H2,1-8H3/b16-13+/t14-,15-/m0/s1
InChIKeyIEQGRHSTMHBNGG-MBWVIIAISA-N
MW564.44 g/mol
LogP7.18
Rot. Bonds4

About tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane (PubChem CID 11734445) has the molecular formula C17H34I2OSi2 and a molecular weight of 564.44 g/mol. Its IUPAC name is tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane
PubChem CID11734445
Molecular FormulaC17H34I2OSi2
Molecular Weight564.44 g/mol
Exact Mass564.02
IUPAC Nametert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC/C(=C(/I)[Si](C)(C)C)[C@@H]1CI
InChIInChI=1S/C17H34I2OSi2/c1-17(2,3)22(7,8)20-15-11-9-10-13(14(15)12-18)16(19)21(4,5)6/h14-15H,9-12H2,1-8H3/b16-13+/t14-,15-/m0/s1
InChIKeyIEQGRHSTMHBNGG-MBWVIIAISA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.44
LogP ≤ 57.18
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane (CID 11734445) is tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCC/C(=C(/I)[Si](C)(C)C)[C@@H]1CI.
What is the InChIKey of tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane?
The InChIKey is IEQGRHSTMHBNGG-MBWVIIAISA-N. The full InChI is InChI=1S/C17H34I2OSi2/c1-17(2,3)22(7,8)20-15-11-9-10-13(14(15)12-18)16(19)21(4,5)6/h14-15H,9-12H2,1-8H3/b16-13+/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane has a molecular weight of 564.44 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 11734445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).