tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane

C26H48O2Si2 — CID 10863273

IUPACtert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)C#CCCCCCCC#CC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O2Si2/c1-23(2,3)29(9,10)27-25(7)21-19-17-15-13-14-16-18-20-22-26(25,8)28-30(11,12)24(4,5)6/h13-18H2,1-12H3
InChIKeyUKHKLPZVJQYRBF-UHFFFAOYSA-N
MW448.84 g/mol
LogP7.91
Rot. Bonds4

About tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane

tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane (PubChem CID 10863273) has the molecular formula C26H48O2Si2 and a molecular weight of 448.84 g/mol. Its IUPAC name is tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane
PubChem CID10863273
Molecular FormulaC26H48O2Si2
Molecular Weight448.84 g/mol
Exact Mass448.32
IUPAC Nametert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)C#CCCCCCCC#CC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O2Si2/c1-23(2,3)29(9,10)27-25(7)21-19-17-15-13-14-16-18-20-22-26(25,8)28-30(11,12)24(4,5)6/h13-18H2,1-12H3
InChIKeyUKHKLPZVJQYRBF-UHFFFAOYSA-N
XLogP7.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.84
LogP ≤ 57.91
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-[4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhexa-1,5-diyn-3-yl]oxy-dimethylsilane
CID 10959526
Tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-2,10-diyn-1-yl]oxy-dimethylsilane
CID 102069975
Tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane
CID 102069978
Tert-butyl-[11-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethylcycloundeca-2,9-diyn-1-yl]oxy-dimethylsilane
CID 102069979
[3-[Dimethyl(undecyl)silyl]oxy-2,3-dimethylbutan-2-yl]oxy-dimethyl-undecylsilane
CID 160868089

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane (CID 10863273) is tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane is CC1(O[Si](C)(C)C(C)(C)C)C#CCCCCCCC#CC1(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane?
The InChIKey is UKHKLPZVJQYRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O2Si2/c1-23(2,3)29(9,10)27-25(7)21-19-17-15-13-14-16-18-20-22-26(25,8)28-30(11,12)24(4,5)6/h13-18H2,1-12H3.
What are the key properties of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane?
tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 448.84 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10863273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).