trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane

C25H30O2Si — CID 24899121

IUPACtrimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane
SMILESC[C@H]1CCC[C@]2(O[C@H]2c2ccccc2)[C@]1(C#Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H30O2Si/c1-20-12-11-18-25(23(26-25)22-15-9-6-10-16-22)24(20,27-28(2,3)4)19-17-21-13-7-5-8-14-21/h5-10,13-16,20,23H,11-12,18H2,1-4H3/t20-,23-,24+,25+/m0/s1
InChIKeyVCMAMLLWYLKFMF-MNPDLOSFSA-N
MW390.60 g/mol
LogP5.96
Rot. Bonds3

About trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane

trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane (PubChem CID 24899121) has the molecular formula C25H30O2Si and a molecular weight of 390.60 g/mol. Its IUPAC name is trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane
PubChem CID24899121
Molecular FormulaC25H30O2Si
Molecular Weight390.60 g/mol
Exact Mass390.20
IUPAC Nametrimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane
SMILESC[C@H]1CCC[C@]2(O[C@H]2c2ccccc2)[C@]1(C#Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H30O2Si/c1-20-12-11-18-25(23(26-25)22-15-9-6-10-16-22)24(20,27-28(2,3)4)19-17-21-13-7-5-8-14-21/h5-10,13-16,20,23H,11-12,18H2,1-4H3/t20-,23-,24+,25+/m0/s1
InChIKeyVCMAMLLWYLKFMF-MNPDLOSFSA-N
XLogP5.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.60
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107
trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol
CID 101375058
(1S,6R)-8-(2-phenylethynyl)-8-trimethylsilyloxybicyclo[4.2.0]octan-7-one
CID 134922183
1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 14116413
2-(2-phenylethynyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 101451441
trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 2752689
trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 99863917
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
CID 86006235
1-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane
CID 24806214
N,N-dimethyl-1-(2-phenylethynyl)cyclohexan-1-amine
CID 51370402
(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
CID 7559548

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane?
The IUPAC name of trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane (CID 24899121) is trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane is C[C@H]1CCC[C@]2(O[C@H]2c2ccccc2)[C@]1(C#Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane?
The InChIKey is VCMAMLLWYLKFMF-MNPDLOSFSA-N. The full InChI is InChI=1S/C25H30O2Si/c1-20-12-11-18-25(23(26-25)22-15-9-6-10-16-22)24(20,27-28(2,3)4)19-17-21-13-7-5-8-14-21/h5-10,13-16,20,23H,11-12,18H2,1-4H3/t20-,23-,24+,25+/m0/s1.
What are the key properties of trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane?
trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane has a molecular weight of 390.60 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane is sourced from PubChem (CID 24899121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).