tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane

C24H44O2Si2 — CID 102069978

IUPACtert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)C#CCCCCC#CC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2Si2/c1-21(2,3)27(9,10)25-23(7)19-17-15-13-14-16-18-20-24(23,8)26-28(11,12)22(4,5)6/h13-16H2,1-12H3
InChIKeyHJTGOFCRDYEELN-UHFFFAOYSA-N
MW420.79 g/mol
LogP7.13
Rot. Bonds4

About tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane

tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane (PubChem CID 102069978) has the molecular formula C24H44O2Si2 and a molecular weight of 420.79 g/mol. Its IUPAC name is tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane
PubChem CID102069978
Molecular FormulaC24H44O2Si2
Molecular Weight420.79 g/mol
Exact Mass420.29
IUPAC Nametert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)C#CCCCCC#CC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2Si2/c1-21(2,3)27(9,10)25-23(7)19-17-15-13-14-16-18-20-24(23,8)26-28(11,12)22(4,5)6/h13-16H2,1-12H3
InChIKeyHJTGOFCRDYEELN-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.79
LogP ≤ 57.13
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'}

Analyze tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane with MolForge

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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-[11-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethylcycloundeca-2,9-diyn-1-yl]oxy-dimethylsilane
CID 102069979
Tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclododeca-2,10-diyn-1-yl]oxy-dimethylsilane
CID 10863273

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane (CID 102069978) is tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane is CC1(O[Si](C)(C)C(C)(C)C)C#CCCCCC#CC1(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The InChIKey is HJTGOFCRDYEELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2Si2/c1-21(2,3)27(9,10)25-23(7)19-17-15-13-14-16-18-20-24(23,8)26-28(11,12)22(4,5)6/h13-16H2,1-12H3.
What are the key properties of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane?
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 420.79 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclodeca-2,8-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 102069978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).