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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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).