tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane

C21H44Si — CID 123987927

IUPACtert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane
SMILESCC(C1CC([Si](C)(C)C(C)(C)C)C1CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H44Si/c1-15(20(5,6)7)16-13-18(17(16)14-19(2,3)4)22(11,12)21(8,9)10/h15-18H,13-14H2,1-12H3
InChIKeyLDCHBNMNLJPNLN-UHFFFAOYSA-N
MW324.67 g/mol
LogP7.62
Rot. Bonds3

About tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane

tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane (PubChem CID 123987927) has the molecular formula C21H44Si and a molecular weight of 324.67 g/mol. Its IUPAC name is tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane
PubChem CID123987927
Molecular FormulaC21H44Si
Molecular Weight324.67 g/mol
Exact Mass324.32
IUPAC Nametert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane
SMILESCC(C1CC([Si](C)(C)C(C)(C)C)C1CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H44Si/c1-15(20(5,6)7)16-13-18(17(16)14-19(2,3)4)22(11,12)21(8,9)10/h15-18H,13-14H2,1-12H3
InChIKeyLDCHBNMNLJPNLN-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.67
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane (CID 123987927) is tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane is CC(C1CC([Si](C)(C)C(C)(C)C)C1CC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane?
The InChIKey is LDCHBNMNLJPNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44Si/c1-15(20(5,6)7)16-13-18(17(16)14-19(2,3)4)22(11,12)21(8,9)10/h15-18H,13-14H2,1-12H3.
What are the key properties of tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane?
tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane has a molecular weight of 324.67 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]-dimethylsilane is sourced from PubChem (CID 123987927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).