tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane

C18H30INOSSi — CID 11037924

IUPACtert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC/C(I)=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C18H30INOSSi/c1-13(11-16-12-22-15(3)20-16)17(10-9-14(2)19)21-23(7,8)18(4,5)6/h9,11-12,17H,10H2,1-8H3/b13-11+,14-9-/t17-/m0/s1
InChIKeyFGYIEZJWWKGRAB-QEHIOZLBSA-N
MW463.50 g/mol
LogP6.97
Rot. Bonds6

About tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane (PubChem CID 11037924) has the molecular formula C18H30INOSSi and a molecular weight of 463.50 g/mol. Its IUPAC name is tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane
PubChem CID11037924
Molecular FormulaC18H30INOSSi
Molecular Weight463.50 g/mol
Exact Mass463.09
IUPAC Nametert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC/C(I)=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C18H30INOSSi/c1-13(11-16-12-22-15(3)20-16)17(10-9-14(2)19)21-23(7,8)18(4,5)6/h9,11-12,17H,10H2,1-8H3/b13-11+,14-9-/t17-/m0/s1
InChIKeyFGYIEZJWWKGRAB-QEHIOZLBSA-N
XLogP6.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane (CID 11037924) is tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane is C/C(I)=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1.
What is the InChIKey of tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane?
The InChIKey is FGYIEZJWWKGRAB-QEHIOZLBSA-N. The full InChI is InChI=1S/C18H30INOSSi/c1-13(11-16-12-22-15(3)20-16)17(10-9-14(2)19)21-23(7,8)18(4,5)6/h9,11-12,17H,10H2,1-8H3/b13-11+,14-9-/t17-/m0/s1.
What are the key properties of tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane has a molecular weight of 463.50 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11037924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).