tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane

C17H35IOSi — CID 134933973

IUPACtert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane
SMILESCC(C)/C=C/[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI
InChIInChI=1S/C17H35IOSi/c1-13(2)10-11-14(3)16(15(4)12-18)19-20(8,9)17(5,6)7/h10-11,13-16H,12H2,1-9H3/b11-10+/t14-,15-,16+/m0/s1
InChIKeyYVSAEWKAMUCCIN-DYVQMQCFSA-N
MW410.46 g/mol
LogP6.30
Rot. Bonds7

About tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane (PubChem CID 134933973) has the molecular formula C17H35IOSi and a molecular weight of 410.46 g/mol. Its IUPAC name is tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane
PubChem CID134933973
Molecular FormulaC17H35IOSi
Molecular Weight410.46 g/mol
Exact Mass410.15
IUPAC Nametert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane
SMILESCC(C)/C=C/[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI
InChIInChI=1S/C17H35IOSi/c1-13(2)10-11-14(3)16(15(4)12-18)19-20(8,9)17(5,6)7/h10-11,13-16H,12H2,1-9H3/b11-10+/t14-,15-,16+/m0/s1
InChIKeyYVSAEWKAMUCCIN-DYVQMQCFSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 56.30
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-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane (CID 134933973) is tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane is CC(C)/C=C/[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI.
What is the InChIKey of tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is YVSAEWKAMUCCIN-DYVQMQCFSA-N. The full InChI is InChI=1S/C17H35IOSi/c1-13(2)10-11-14(3)16(15(4)12-18)19-20(8,9)17(5,6)7/h10-11,13-16H,12H2,1-9H3/b11-10+/t14-,15-,16+/m0/s1.
What are the key properties of tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 410.46 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134933973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).