tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane

C17H31IOSi — CID 11718394

IUPACtert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane
SMILESCC(/C=C/CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)=C\I
InChIInChI=1S/C17H31IOSi/c1-15(13-18)11-9-8-10-12-16(2)14-19-20(6,7)17(3,4)5/h9,11-13H,8,10,14H2,1-7H3/b11-9+,15-13+,16-12+
InChIKeyKZSQEALULOHWLE-YAZNSWJHSA-N
MW406.42 g/mol
LogP6.63
Rot. Bonds7

About tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane

tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane (PubChem CID 11718394) has the molecular formula C17H31IOSi and a molecular weight of 406.42 g/mol. Its IUPAC name is tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane
PubChem CID11718394
Molecular FormulaC17H31IOSi
Molecular Weight406.42 g/mol
Exact Mass406.12
IUPAC Nametert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane
SMILESCC(/C=C/CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)=C\I
InChIInChI=1S/C17H31IOSi/c1-15(13-18)11-9-8-10-12-16(2)14-19-20(6,7)17(3,4)5/h9,11-13H,8,10,14H2,1-7H3/b11-9+,15-13+,16-12+
InChIKeyKZSQEALULOHWLE-YAZNSWJHSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 56.63
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2E,4Z)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane
CID 11782710
tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
CID 10937764
tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane
CID 10947731
tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
CID 11035195
tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
CID 11625060
Tert-butyl-(cyclohexa-1,5-dien-1-ylmethoxy)-dimethylsilane
CID 15587954
tert-butyl-[(2S,3E,5E)-6-iodo-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane
CID 16079535
tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
CID 71530233
tert-butyl-dimethyl-[(2E,4Z)-4-methylundeca-2,4-dienoxy]silane
CID 101267051
tert-butyl-[(2Z)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855242
tert-butyl-[(2E)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855243
tert-butyl-dimethyl-[(E)-2-methylidenehept-3-enoxy]silane
CID 134916482

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane (CID 11718394) is tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane is CC(/C=C/CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)=C\I.
What is the InChIKey of tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane?
The InChIKey is KZSQEALULOHWLE-YAZNSWJHSA-N. The full InChI is InChI=1S/C17H31IOSi/c1-15(13-18)11-9-8-10-12-16(2)14-19-20(6,7)17(3,4)5/h9,11-13H,8,10,14H2,1-7H3/b11-9+,15-13+,16-12+.
What are the key properties of tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane?
tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane has a molecular weight of 406.42 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E,8E)-9-iodo-2,8-dimethylnona-2,6,8-trienoxy]-dimethylsilane is sourced from PubChem (CID 11718394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).