2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane

C22H40O2Si2 — CID 10596713

IUPAC2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC1(C#C[Si](C)(C)C)OCC(C)(C)CO1)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si2/c1-18(2)26(19(3)4,20(5)6)15-13-22(12-14-25(9,10)11)23-16-21(7,8)17-24-22/h18-20H,16-17H2,1-11H3
InChIKeyJNJJTQZDVUVKIX-UHFFFAOYSA-N
MW392.73 g/mol
LogP5.86
Rot. Bonds3

About 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane

2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 10596713) has the molecular formula C22H40O2Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID10596713
Molecular FormulaC22H40O2Si2
Molecular Weight392.73 g/mol
Exact Mass392.26
IUPAC Name2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC1(C#C[Si](C)(C)C)OCC(C)(C)CO1)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si2/c1-18(2)26(19(3)4,20(5)6)15-13-22(12-14-25(9,10)11)23-16-21(7,8)17-24-22/h18-20H,16-17H2,1-11H3
InChIKeyJNJJTQZDVUVKIX-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol
CID 10725845
2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane
CID 101466434
3-(2-trimethylsilylethynyl)oxetan-3-ol
CID 66687388
[3-bromo-6-(5,5-dimethyl-1,3-dioxan-2-yl)hex-1-ynyl]-tri(propan-2-yl)silane
CID 166637290
2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 101237056
(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidine-3-carboxylic acid
CID 174058758
6,13-bis(2-trimethylsilylethynyl)-2,3,9,10-tetrakis[2-tri(propan-2-yl)silylethynyl]pentacene-6,13-diol
CID 11506374
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane
CID 146328322
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
3,3-dimethyl-9-[2,3,4-tris(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ylidene)cyclobutylidene]-1,5-dioxaspiro[5.5]undecane
CID 134981973
trimethyl-[2-[trimethylsilyl-bis[tri(propan-2-yl)silyl]silyl]ethynyl]silane
CID 15527540

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane (CID 10596713) is 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CC1(C#C[Si](C)(C)C)OCC(C)(C)CO1)(C(C)C)C(C)C.
What is the InChIKey of 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is JNJJTQZDVUVKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si2/c1-18(2)26(19(3)4,20(5)6)15-13-22(12-14-25(9,10)11)23-16-21(7,8)17-24-22/h18-20H,16-17H2,1-11H3.
What are the key properties of 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane?
2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 392.73 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 10596713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).