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

C13H25IOSi — CID 134897032

IUPACtert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC1=C(I)CCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IOSi/c1-10-11(14)8-7-9-12(10)15-16(5,6)13(2,3)4/h12H,7-9H2,1-6H3
InChIKeyIONMZEVUQSINMC-UHFFFAOYSA-N
MW352.33 g/mol
LogP5.27
Rot. Bonds2

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

tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane (PubChem CID 134897032) has the molecular formula C13H25IOSi and a molecular weight of 352.33 g/mol. Its IUPAC name is tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane
PubChem CID134897032
Molecular FormulaC13H25IOSi
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Nametert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC1=C(I)CCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IOSi/c1-10-11(14)8-7-9-12(10)15-16(5,6)13(2,3)4/h12H,7-9H2,1-6H3
InChIKeyIONMZEVUQSINMC-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.33
LogP ≤ 55.27
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

tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane
CID 101050721
tert-butyl-[(1S,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 57696895
tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 89187746
Tert-butyl-(3-iodocyclohex-2-en-1-yl)oxy-dimethylsilane
CID 140842171
Triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane
CID 141407624
tert-butyl-dimethyl-[(1R)-2-methylcyclohex-2-en-1-yl]oxysilane
CID 10977200
[(1R)-2-iodocyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane
CID 10981780
Tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11279165
Silane, (1,1-dimethylethyl)dimethyl[(3-methyl-2-cyclohexen-1-yl)oxy]-
CID 11379150
triethyl-[(1S)-2-methylcyclohex-2-en-1-yl]oxysilane
CID 11806389
Trimethyl[(2-methylcyclohex-2-en-1-yl)oxy]silane
CID 13472456
triethyl-[(1R)-2-methylcyclohex-2-en-1-yl]oxysilane
CID 100971304

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane (CID 134897032) is tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane is CC1=C(I)CCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is IONMZEVUQSINMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IOSi/c1-10-11(14)8-7-9-12(10)15-16(5,6)13(2,3)4/h12H,7-9H2,1-6H3.
What are the key properties of tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane?
tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 352.33 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 134897032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).