tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

C14H27IOSi — CID 89187746

IUPACtert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC[C@H]1CC=C(CI)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H27IOSi/c1-11-7-8-12(10-15)13(9-11)16-17(5,6)14(2,3)4/h8,11,13H,7,9-10H2,1-6H3/t11-,13+/m0/s1
InChIKeyFOSPZICETYENSY-WCQYABFASA-N
MW366.36 g/mol
LogP5.17
Rot. Bonds3

About tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 89187746) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID89187746
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Nametert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC[C@H]1CC=C(CI)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H27IOSi/c1-11-7-8-12(10-15)13(9-11)16-17(5,6)14(2,3)4/h8,11,13H,7,9-10H2,1-6H3/t11-,13+/m0/s1
InChIKeyFOSPZICETYENSY-WCQYABFASA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.17
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (CID 89187746) is tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is C[C@H]1CC=C(CI)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is FOSPZICETYENSY-WCQYABFASA-N. The full InChI is InChI=1S/C14H27IOSi/c1-11-7-8-12(10-15)13(9-11)16-17(5,6)14(2,3)4/h8,11,13H,7,9-10H2,1-6H3/t11-,13+/m0/s1.
What are the key properties of tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,5S)-2-(iodomethyl)-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 89187746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).