tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane

C18H36OSi2 — CID 45259157

IUPACtert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/CC#C[Si](C)(C)C
InChIInChI=1S/C18H36OSi2/c1-18(2,3)21(7,8)19-16-14-12-10-9-11-13-15-17-20(4,5)6/h9,11H,10,12-14,16H2,1-8H3/b11-9+
InChIKeyFTJNTUHLFNTEIF-PKNBQFBNSA-N
MW324.66 g/mol
LogP6.01
Rot. Bonds7

About tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane

tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane (PubChem CID 45259157) has the molecular formula C18H36OSi2 and a molecular weight of 324.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane
PubChem CID45259157
Molecular FormulaC18H36OSi2
Molecular Weight324.66 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/CC#C[Si](C)(C)C
InChIInChI=1S/C18H36OSi2/c1-18(2,3)21(7,8)19-16-14-12-10-9-11-13-15-17-20(4,5)6/h9,11H,10,12-14,16H2,1-8H3/b11-9+
InChIKeyFTJNTUHLFNTEIF-PKNBQFBNSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025
(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(E)-6-trimethylsilylundec-4-enoxy]silane
CID 11382734
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane
CID 57333047
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
(5z,7e)-5,7-Decadienyloxy-tert.butyldimethylsilane
CID 129866685
(e)-t-Butyl(dimethyl)(tetradec-3-ene-8,11-diyn-1-yloxy)silane
CID 132280318

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane (CID 45259157) is tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane is CC(C)(C)[Si](C)(C)OCCCC/C=C/CC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane?
The InChIKey is FTJNTUHLFNTEIF-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H36OSi2/c1-18(2,3)21(7,8)19-16-14-12-10-9-11-13-15-17-20(4,5)6/h9,11H,10,12-14,16H2,1-8H3/b11-9+.
What are the key properties of tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane?
tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane has a molecular weight of 324.66 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-9-trimethylsilylnon-5-en-8-ynoxy]silane is sourced from PubChem (CID 45259157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).