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

C14H29IOSi — CID 152749210

IUPAC[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
SMILESCCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3/b12-9+
InChIKeyXRXZWYJHWFSWGO-FMIVXFBMSA-N
MW368.38 g/mol
LogP5.76
Rot. Bonds8

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

[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane (PubChem CID 152749210) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
PubChem CID152749210
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
SMILESCCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3/b12-9+
InChIKeyXRXZWYJHWFSWGO-FMIVXFBMSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.76
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-dimethyloct-1-en-4-yl]oxy-trimethylsilane
CID 152749211
triethyl(1-iodooct-1-en-4-yloxy)silane
CID 54527883
7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene
CID 175009732
triethyl-[(4R)-1-iodo-4-methyloct-1-en-4-yl]oxysilane
CID 54220348
[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane
CID 129404613
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
trimethyl-[(Z)-5-methylnon-2-en-5-yl]oxysilane
CID 161469937
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
(E,2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enal
CID 101448696
triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane
CID 154116270
3-ethyl-5,6,6-trimethyldecane
CID 123403358
1-iodoundecoxy(trimethyl)silane
CID 22215334

Frequently Asked Questions

What is the IUPAC name of [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane (CID 152749210) is [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane is CCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is XRXZWYJHWFSWGO-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3/b12-9+.
What are the key properties of [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.76, 8 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-dimethylnon-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 152749210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).