tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane

C18H36OSi2 — CID 11438740

IUPACtert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi2/c1-17(13-11-10-12-16-20(5,6)7)14-15-19-21(8,9)18(2,3)4/h13H,10-11,14-15H2,1-9H3/b17-13+
InChIKeyQSMBQUROBPHFQI-GHRIWEEISA-N
MW324.66 g/mol
LogP6.01
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane

tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane (PubChem CID 11438740) has the molecular formula C18H36OSi2 and a molecular weight of 324.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
PubChem CID11438740
Molecular FormulaC18H36OSi2
Molecular Weight324.66 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi2/c1-17(13-11-10-12-16-20(5,6)7)14-15-19-21(8,9)18(2,3)4/h13H,10-11,14-15H2,1-9H3/b17-13+
InChIKeyQSMBQUROBPHFQI-GHRIWEEISA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.66
LogP ≤ 56.01
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11163885
tert-butyl-[(2R,3Z,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11336947
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
Tert-butyl-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,1-dimethylsilol-2-yl]ethoxy]-dimethylsilane
CID 24795264
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157
tert-butyl-[(2R,3Z,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 101267042
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
3-(2,2-Dimethyl-3,6-dihydrooxasilin-5-yl)but-3-en-1-ynyl-triethylsilane
CID 101770675
(e)-t-Butyl(dimethyl)(tetradec-3-ene-8,11-diyn-1-yloxy)silane
CID 132280318
tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866067
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane (CID 11438740) is tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane is C/C(=C\CCC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane?
The InChIKey is QSMBQUROBPHFQI-GHRIWEEISA-N. The full InChI is InChI=1S/C18H36OSi2/c1-17(13-11-10-12-16-20(5,6)7)14-15-19-21(8,9)18(2,3)4/h13H,10-11,14-15H2,1-9H3/b17-13+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane?
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane has a molecular weight of 324.66 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane is sourced from PubChem (CID 11438740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).