tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane

C21H42O2Si2 — CID 14314328

IUPACtert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CC(O[Si](C)(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-17-13-16-19(18-14-11-12-15-18)23-25(9,10)21(4,5)6/h18-19H,11-12,14-15,17H2,1-10H3
InChIKeyPREKUYWAFMFREI-UHFFFAOYSA-N
MW382.74 g/mol
LogP6.59
Rot. Bonds5

About tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane

tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane (PubChem CID 14314328) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane
PubChem CID14314328
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CC(O[Si](C)(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-17-13-16-19(18-14-11-12-15-18)23-25(9,10)21(4,5)6/h18-19H,11-12,14-15,17H2,1-10H3
InChIKeyPREKUYWAFMFREI-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 56.59
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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Launch Full Analysis

Related Compounds

(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 164617863
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)hexyloxy-
CID 91737718
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)heptyloxy-
CID 91738892
triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
CID 11384680
[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
CID 25107594
[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane
CID 134846317
tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane
CID 134943942
triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
CID 134977488
Tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane
CID 135008502
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
CID 135078090
Tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane
CID 146163842
1-Cyclopentylethyl tributylsilyl ether
CID 568687

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane (CID 14314328) is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#CC(O[Si](C)(C)C(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane?
The InChIKey is PREKUYWAFMFREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-17-13-16-19(18-14-11-12-15-18)23-25(9,10)21(4,5)6/h18-19H,11-12,14-15,17H2,1-10H3.
What are the key properties of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane?
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 14314328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).