tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane

C23H43IOSi — CID 54265632

IUPACtert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43IOSi/c1-19(2)12-10-13-20(3)14-11-15-21(4)18-22(16-17-24)25-26(8,9)23(5,6)7/h12,14,18,22H,10-11,13,15-17H2,1-9H3
InChIKeyRGOIEXKUPYJLRO-UHFFFAOYSA-N
MW490.59 g/mol
LogP8.62
Rot. Bonds11

About tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane

tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane (PubChem CID 54265632) has the molecular formula C23H43IOSi and a molecular weight of 490.59 g/mol. Its IUPAC name is tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane
PubChem CID54265632
Molecular FormulaC23H43IOSi
Molecular Weight490.59 g/mol
Exact Mass490.21
IUPAC Nametert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43IOSi/c1-19(2)12-10-13-20(3)14-11-15-21(4)18-22(16-17-24)25-26(8,9)23(5,6)7/h12,14,18,22H,10-11,13,15-17H2,1-9H3
InChIKeyRGOIEXKUPYJLRO-UHFFFAOYSA-N
XLogP8.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 58.62
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-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane (CID 54265632) is tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane is CC(C)=CCCC(C)=CCCC(C)=CC(CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane?
The InChIKey is RGOIEXKUPYJLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43IOSi/c1-19(2)12-10-13-20(3)14-11-15-21(4)18-22(16-17-24)25-26(8,9)23(5,6)7/h12,14,18,22H,10-11,13,15-17H2,1-9H3.
What are the key properties of tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane?
tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane has a molecular weight of 490.59 g/mol, XLogP of 8.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 54265632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).