2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one

C22H38OSi2 — CID 86233970

IUPAC2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one
SMILESCC[Si](C#CC1(C#C[Si](CC)(CC)CC)CCCCC1=O)(CC)CC
InChIInChI=1S/C22H38OSi2/c1-7-24(8-2,9-3)19-17-22(16-14-13-15-21(22)23)18-20-25(10-4,11-5)12-6/h7-16H2,1-6H3
InChIKeyHYYCWFGAOOJDSD-UHFFFAOYSA-N
MW374.72 g/mol
LogP6.22
Rot. Bonds6

About 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one

2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one (PubChem CID 86233970) has the molecular formula C22H38OSi2 and a molecular weight of 374.72 g/mol. Its IUPAC name is 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one.

Molecular Properties

Compound Name2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one
PubChem CID86233970
Molecular FormulaC22H38OSi2
Molecular Weight374.72 g/mol
Exact Mass374.25
IUPAC Name2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one
SMILESCC[Si](C#CC1(C#C[Si](CC)(CC)CC)CCCCC1=O)(CC)CC
InChIInChI=1S/C22H38OSi2/c1-7-24(8-2,9-3)19-17-22(16-14-13-15-21(22)23)18-20-25(10-4,11-5)12-6/h7-16H2,1-6H3
InChIKeyHYYCWFGAOOJDSD-UHFFFAOYSA-N
XLogP6.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 56.22
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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Related Compounds

(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
4-Tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 75040801
1-Cyclohexyl-3-(triisopropylsilyl)prop-2-yn-1-one
CID 122380975
4-Tert-butyl-2-methyl-6-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 135049648
2-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 154721374
2-Acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 164668741
(1-Methyl-cyclohexyl-carbonyl)-tris(trimethylsilyl)silane
CID 6426216
2-Iodo-3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexan-1-one
CID 85784682
5,5-Bis(2-triethylsilylethynyl)undecan-6-one
CID 86233962
4-Methyl-4-((trimethylsilyl)ethynyl)cyclohexanone
CID 57523556

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one?
The IUPAC name of 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one (CID 86233970) is 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one.
What is the SMILES notation for 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one?
The canonical SMILES for 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one is CC[Si](C#CC1(C#C[Si](CC)(CC)CC)CCCCC1=O)(CC)CC.
What is the InChIKey of 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one?
The InChIKey is HYYCWFGAOOJDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38OSi2/c1-7-24(8-2,9-3)19-17-22(16-14-13-15-21(22)23)18-20-25(10-4,11-5)12-6/h7-16H2,1-6H3.
What are the key properties of 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one?
2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one has a molecular weight of 374.72 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-triethylsilylethynyl)cyclohexan-1-one is sourced from PubChem (CID 86233970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).