trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane

C26H48OSi3 — CID 162258753

IUPACtrimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane
SMILESCC1C=C(O[Si](C)(C)C)CCC1(C#C[Si](C)(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H48OSi3/c1-21(2)30(22(3)4,23(5)6)19-17-26(16-18-28(8,9)10)15-14-25(20-24(26)7)27-29(11,12)13/h20-24H,14-15H2,1-13H3
InChIKeyLLVBWRGLXJFQGF-UHFFFAOYSA-N
MW460.93 g/mol
LogP8.24
Rot. Bonds5

About trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane

trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane (PubChem CID 162258753) has the molecular formula C26H48OSi3 and a molecular weight of 460.93 g/mol. Its IUPAC name is trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane
PubChem CID162258753
Molecular FormulaC26H48OSi3
Molecular Weight460.93 g/mol
Exact Mass460.30
IUPAC Nametrimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane
SMILESCC1C=C(O[Si](C)(C)C)CCC1(C#C[Si](C)(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H48OSi3/c1-21(2)30(22(3)4,23(5)6)19-17-26(16-18-28(8,9)10)15-14-25(20-24(26)7)27-29(11,12)13/h20-24H,14-15H2,1-13H3
InChIKeyLLVBWRGLXJFQGF-UHFFFAOYSA-N
XLogP8.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane (CID 162258753) is trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane is CC1C=C(O[Si](C)(C)C)CCC1(C#C[Si](C)(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane?
The InChIKey is LLVBWRGLXJFQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48OSi3/c1-21(2)30(22(3)4,23(5)6)19-17-26(16-18-28(8,9)10)15-14-25(20-24(26)7)27-29(11,12)13/h20-24H,14-15H2,1-13H3.
What are the key properties of trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane?
trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane has a molecular weight of 460.93 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 162258753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).