tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane

C14H29IOSi — CID 11111369

IUPACtert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCC[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h11-13H,7-10H2,1-6H3/b12-11+/t13-/m0/s1
InChIKeyLTLQAJZGKYDIDX-YLSINNKHSA-N
MW368.38 g/mol
LogP5.91
Rot. Bonds7

About tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 11111369) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane
PubChem CID11111369
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Nametert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCC[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h11-13H,7-10H2,1-6H3/b12-11+/t13-/m0/s1
InChIKeyLTLQAJZGKYDIDX-YLSINNKHSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane (CID 11111369) is tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane is CCCCC[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is LTLQAJZGKYDIDX-YLSINNKHSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h11-13H,7-10H2,1-6H3/b12-11+/t13-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11111369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).