[(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane

C13H27IOSi — CID 152749211

IUPAC[(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane
SMILESCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-10-13(2,3)12(9-8-11-14)15-16(4,5)6/h8,11-12H,7,9-10H2,1-6H3/b11-8+
InChIKeyNOVFVCULWSBCQC-DHZHZOJOSA-N
MW354.35 g/mol
LogP5.37
Rot. Bonds7

About [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane

[(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane (PubChem CID 152749211) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane
PubChem CID152749211
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Name[(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane
SMILESCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-10-13(2,3)12(9-8-11-14)15-16(4,5)6/h8,11-12H,7,9-10H2,1-6H3/b11-8+
InChIKeyNOVFVCULWSBCQC-DHZHZOJOSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.37
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

[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
CID 152749210
triethyl(1-iodooct-1-en-4-yloxy)silane
CID 54527883
(E,2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enal
CID 101448696
1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
CID 175461181
4,4-dimethylheptane-3-thiol
CID 174721074
5,5-dimethyloctane-4-thiol
CID 175152485
trimethyl(oct-6-en-4-yloxy)silane
CID 57047258
7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene
CID 175009732
[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl] trifluoromethanesulfonate
CID 11059811
2,4,5,5-tetramethyloctane
CID 19844451
[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane
CID 57101826
[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane
CID 129404613

Frequently Asked Questions

What is the IUPAC name of [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane (CID 152749211) is [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane is CCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is NOVFVCULWSBCQC-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-7-10-13(2,3)12(9-8-11-14)15-16(4,5)6/h8,11-12H,7,9-10H2,1-6H3/b11-8+.
What are the key properties of [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane?
[(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-iodo-5,5-dimethyloct-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 152749211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).