tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane

C14H27IOSi — CID 131747683

IUPACtert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC1(C)CCC(I)=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27IOSi/c1-13(2,3)17(6,7)16-12-10-11(15)8-9-14(12,4)5/h10,12H,8-9H2,1-7H3
InChIKeyKCGNKPDHRURSNA-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.52
Rot. Bonds2

About tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane

tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane (PubChem CID 131747683) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane
PubChem CID131747683
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Nametert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC1(C)CCC(I)=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27IOSi/c1-13(2,3)17(6,7)16-12-10-11(15)8-9-14(12,4)5/h10,12H,8-9H2,1-7H3
InChIKeyKCGNKPDHRURSNA-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.52
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-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane
CID 134938743
tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 138977255
triethyl-[(1R,5R)-5-methylcyclohex-2-en-1-yl]oxysilane
CID 134888596
tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane
CID 11489978
(1-Iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane
CID 54064035
tert-butyl-[(1S,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 57696895
[(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane
CID 88793788
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
Tert-butyl-dimethyl-(5-methylcyclohex-2-en-1-yl)oxysilane
CID 141338997
[(E,3S,5S)-1-iodo-4,4,5-trimethyloct-6-en-3-yl]oxy-trimethylsilane
CID 157868704
[(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane
CID 163844664

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane (CID 131747683) is tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane is CC1(C)CCC(I)=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is KCGNKPDHRURSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-13(2,3)17(6,7)16-12-10-11(15)8-9-14(12,4)5/h10,12H,8-9H2,1-7H3.
What are the key properties of tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane?
tert-butyl-(3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.52, 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-6,6-dimethylcyclohex-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 131747683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).