tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane

C16H28INOSSi — CID 11419207

IUPACtert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESC/C(=C\c1csc(C)n1)[C@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28INOSSi/c1-12(10-14-11-20-13(2)18-14)15(8-9-17)19-21(6,7)16(3,4)5/h10-11,15H,8-9H2,1-7H3/b12-10+/t15-/m0/s1
InChIKeyQVHPGIIDFMSHFM-PABFRNLHSA-N
MW437.46 g/mol
LogP6.07
Rot. Bonds6

About tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 11419207) has the molecular formula C16H28INOSSi and a molecular weight of 437.46 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
PubChem CID11419207
Molecular FormulaC16H28INOSSi
Molecular Weight437.46 g/mol
Exact Mass437.07
IUPAC Nametert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESC/C(=C\c1csc(C)n1)[C@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28INOSSi/c1-12(10-14-11-20-13(2)18-14)15(8-9-17)19-21(6,7)16(3,4)5/h10-11,15H,8-9H2,1-7H3/b12-10+/t15-/m0/s1
InChIKeyQVHPGIIDFMSHFM-PABFRNLHSA-N
XLogP6.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (CID 11419207) is tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane is C/C(=C\c1csc(C)n1)[C@H](CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is QVHPGIIDFMSHFM-PABFRNLHSA-N. The full InChI is InChI=1S/C16H28INOSSi/c1-12(10-14-11-20-13(2)18-14)15(8-9-17)19-21(6,7)16(3,4)5/h10-11,15H,8-9H2,1-7H3/b12-10+/t15-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 437.46 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-5-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11419207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).