tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane

C12H25IOSi — CID 19904713

IUPACtert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(I)CC1
InChIInChI=1S/C12H25IOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h10-11H,6-9H2,1-5H3
InChIKeyHKUPCYAVDDGPCC-UHFFFAOYSA-N
MW340.32 g/mol
LogP4.75
Rot. Bonds2

About tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane

tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane (PubChem CID 19904713) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane
PubChem CID19904713
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Nametert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(I)CC1
InChIInChI=1S/C12H25IOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h10-11H,6-9H2,1-5H3
InChIKeyHKUPCYAVDDGPCC-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.75
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-(4-iodocyclohexyl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane (CID 19904713) is tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC(I)CC1.
What is the InChIKey of tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane?
The InChIKey is HKUPCYAVDDGPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane?
tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane is sourced from PubChem (CID 19904713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).