tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane

C12H23IOSi — CID 140842171

IUPACtert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(I)CCC1
InChIInChI=1S/C12H23IOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h9,11H,6-8H2,1-5H3
InChIKeyYFAJTEHAFURNOO-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.88
Rot. Bonds2

About tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane

tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane (PubChem CID 140842171) has the molecular formula C12H23IOSi and a molecular weight of 338.31 g/mol. Its IUPAC name is tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane
PubChem CID140842171
Molecular FormulaC12H23IOSi
Molecular Weight338.31 g/mol
Exact Mass338.06
IUPAC Nametert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(I)CCC1
InChIInChI=1S/C12H23IOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h9,11H,6-8H2,1-5H3
InChIKeyYFAJTEHAFURNOO-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane (CID 140842171) is tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C=C(I)CCC1.
What is the InChIKey of tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is YFAJTEHAFURNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23IOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h9,11H,6-8H2,1-5H3.
What are the key properties of tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane?
tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 338.31 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 140842171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).