trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane

C18H40O3Si4 — CID 68852351

IUPACtrimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane
SMILESC[Si](C)(C)OC1(C#C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C18H40O3Si4/c1-22(2,3)19-18(14-12-11-13-15-18)16-17-25(10,20-23(4,5)6)21-24(7,8)9/h11-15H2,1-10H3
InChIKeyHRFUSBZCBMXZLG-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.86
Rot. Bonds6

About trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane

trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane (PubChem CID 68852351) has the molecular formula C18H40O3Si4 and a molecular weight of 416.86 g/mol. Its IUPAC name is trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane
PubChem CID68852351
Molecular FormulaC18H40O3Si4
Molecular Weight416.86 g/mol
Exact Mass416.21
IUPAC Nametrimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane
SMILESC[Si](C)(C)OC1(C#C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C18H40O3Si4/c1-22(2,3)19-18(14-12-11-13-15-18)16-17-25(10,20-23(4,5)6)21-24(7,8)9/h11-15H2,1-10H3
InChIKeyHRFUSBZCBMXZLG-UHFFFAOYSA-N
XLogP5.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane?
The IUPAC name of trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane (CID 68852351) is trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane.
What is the SMILES notation for trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane?
The canonical SMILES for trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane is C[Si](C)(C)OC1(C#C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCCC1.
What is the InChIKey of trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane?
The InChIKey is HRFUSBZCBMXZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si4/c1-22(2,3)19-18(14-12-11-13-15-18)16-17-25(10,20-23(4,5)6)21-24(7,8)9/h11-15H2,1-10H3.
What are the key properties of trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane?
trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane has a molecular weight of 416.86 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane is sourced from PubChem (CID 68852351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).