tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane

C16H33IOSi — CID 22768571

IUPACtert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)CCCC(/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33IOSi/c1-15(2,3)12-9-10-14(11-13-17)18-19(7,8)16(4,5)6/h11,13-14H,9-10,12H2,1-8H3/b13-11+
InChIKeySEVCZMHICINAFN-ACCUITESSA-N
MW396.43 g/mol
LogP6.54
Rot. Bonds6

About tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 22768571) has the molecular formula C16H33IOSi and a molecular weight of 396.43 g/mol. Its IUPAC name is tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane
PubChem CID22768571
Molecular FormulaC16H33IOSi
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Nametert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)CCCC(/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33IOSi/c1-15(2,3)12-9-10-14(11-13-17)18-19(7,8)16(4,5)6/h11,13-14H,9-10,12H2,1-8H3/b13-11+
InChIKeySEVCZMHICINAFN-ACCUITESSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
tert-butyl-[(1Z,3S)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 134898148
methyl (E,5R)-7-bromo-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 89058029
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055
methyl (E,4S,11R)-4-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-2-enoate
CID 102461121
tert-butyl-[(E,1S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-iodoethenyl]non-5-en-3-ynoxy]-dimethylsilane
CID 122400653
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-7-enoic acid
CID 174052210
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane (CID 22768571) is tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane is CC(C)(C)CCCC(/C=C/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is SEVCZMHICINAFN-ACCUITESSA-N. The full InChI is InChI=1S/C16H33IOSi/c1-15(2,3)12-9-10-14(11-13-17)18-19(7,8)16(4,5)6/h11,13-14H,9-10,12H2,1-8H3/b13-11+.
What are the key properties of tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 396.43 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 22768571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).