tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane

C23H40O2Si2 — CID 134977391

IUPACtert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C23H40O2Si2/c1-22(2,3)26(7,8)24-20-16-13-11-12-14-17-21(19-15-18-20)25-27(9,10)23(4,5)6/h11-12,20-21H,15,18-19H2,1-10H3/b12-11-
InChIKeyFGUYQJUMXPLNMP-QXMHVHEDSA-N
MW404.74 g/mol
LogP6.51
Rot. Bonds4

About tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane

tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane (PubChem CID 134977391) has the molecular formula C23H40O2Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
PubChem CID134977391
Molecular FormulaC23H40O2Si2
Molecular Weight404.74 g/mol
Exact Mass404.26
IUPAC Nametert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C23H40O2Si2/c1-22(2,3)26(7,8)24-20-16-13-11-12-14-17-21(19-15-18-20)25-27(9,10)23(4,5)6/h11-12,20-21H,15,18-19H2,1-10H3/b12-11-
InChIKeyFGUYQJUMXPLNMP-QXMHVHEDSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.74
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
CID 134977934
Tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane
CID 90798688

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane (CID 134977391) is tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CC(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The InChIKey is FGUYQJUMXPLNMP-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H40O2Si2/c1-22(2,3)26(7,8)24-20-16-13-11-12-14-17-21(19-15-18-20)25-27(9,10)23(4,5)6/h11-12,20-21H,15,18-19H2,1-10H3/b12-11-.
What are the key properties of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 404.74 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134977391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).