tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane

C19H41IO2Si2 — CID 134938743

IUPACtert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](CCI)O[Si](C)(C)C
InChIInChI=1S/C19H41IO2Si2/c1-12-13-16(22-24(10,11)18(2,3)4)19(5,6)17(14-15-20)21-23(7,8)9/h12-13,16-17H,14-15H2,1-11H3/b13-12+/t16-,17-/m0/s1
InChIKeyBJGKHNOQYHNBPF-CPQFKCLQSA-N
MW484.61 g/mol
LogP7.02
Rot. Bonds9

About tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane

tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane (PubChem CID 134938743) has the molecular formula C19H41IO2Si2 and a molecular weight of 484.61 g/mol. Its IUPAC name is tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane
PubChem CID134938743
Molecular FormulaC19H41IO2Si2
Molecular Weight484.61 g/mol
Exact Mass484.17
IUPAC Nametert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](CCI)O[Si](C)(C)C
InChIInChI=1S/C19H41IO2Si2/c1-12-13-16(22-24(10,11)18(2,3)4)19(5,6)17(14-15-20)21-23(7,8)9/h12-13,16-17H,14-15H2,1-11H3/b13-12+/t16-,17-/m0/s1
InChIKeyBJGKHNOQYHNBPF-CPQFKCLQSA-N
XLogP7.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.61
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane (CID 134938743) is tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](CCI)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane?
The InChIKey is BJGKHNOQYHNBPF-CPQFKCLQSA-N. The full InChI is InChI=1S/C19H41IO2Si2/c1-12-13-16(22-24(10,11)18(2,3)4)19(5,6)17(14-15-20)21-23(7,8)9/h12-13,16-17H,14-15H2,1-11H3/b13-12+/t16-,17-/m0/s1.
What are the key properties of tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane?
tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane has a molecular weight of 484.61 g/mol, XLogP of 7.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane is sourced from PubChem (CID 134938743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).