2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane

C20H42Si — CID 123610901

IUPAC2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane
SMILESCC(C1CC(CC[Si](C)(C)C)C1CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H42Si/c1-15(20(5,6)7)17-13-16(11-12-21(8,9)10)18(17)14-19(2,3)4/h15-18H,11-14H2,1-10H3
InChIKeySYXUWSYVOQUCIY-UHFFFAOYSA-N
MW310.64 g/mol
LogP7.09
Rot. Bonds5

About 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane

2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane (PubChem CID 123610901) has the molecular formula C20H42Si and a molecular weight of 310.64 g/mol. Its IUPAC name is 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane
PubChem CID123610901
Molecular FormulaC20H42Si
Molecular Weight310.64 g/mol
Exact Mass310.31
IUPAC Name2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane
SMILESCC(C1CC(CC[Si](C)(C)C)C1CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H42Si/c1-15(20(5,6)7)17-13-16(11-12-21(8,9)10)18(17)14-19(2,3)4/h15-18H,11-14H2,1-10H3
InChIKeySYXUWSYVOQUCIY-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.64
LogP ≤ 57.09
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 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane?
The IUPAC name of 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane (CID 123610901) is 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane.
What is the SMILES notation for 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane?
The canonical SMILES for 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane is CC(C1CC(CC[Si](C)(C)C)C1CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane?
The InChIKey is SYXUWSYVOQUCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42Si/c1-15(20(5,6)7)17-13-16(11-12-21(8,9)10)18(17)14-19(2,3)4/h15-18H,11-14H2,1-10H3.
What are the key properties of 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane?
2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane has a molecular weight of 310.64 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)cyclobutyl]ethyl-trimethylsilane is sourced from PubChem (CID 123610901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).