trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane

C17H24OSi — CID 134942107

IUPACtrimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
SMILESC[C@@H]1CCC[C@@]1(C#Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H24OSi/c1-15-9-8-13-17(15,18-19(2,3)4)14-12-16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,13H2,1-4H3/t15-,17+/m1/s1
InChIKeyMANJBJCKOMVWHX-WBVHZDCISA-N
MW272.46 g/mol
LogP4.45
Rot. Bonds2

About trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane

trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane (PubChem CID 134942107) has the molecular formula C17H24OSi and a molecular weight of 272.46 g/mol. Its IUPAC name is trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
PubChem CID134942107
Molecular FormulaC17H24OSi
Molecular Weight272.46 g/mol
Exact Mass272.16
IUPAC Nametrimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
SMILESC[C@@H]1CCC[C@@]1(C#Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H24OSi/c1-15-9-8-13-17(15,18-19(2,3)4)14-12-16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,13H2,1-4H3/t15-,17+/m1/s1
InChIKeyMANJBJCKOMVWHX-WBVHZDCISA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.45
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

trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane
CID 24899121
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
2-(2-phenylethynyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 101451441
trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 99863917
trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 2752689
1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 14116413
1,7-bis(2-phenylethynyl)tricyclo[4.1.0.02,7]heptane
CID 14662042
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
1-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane
CID 24806214
N,N-dimethyl-1-(2-phenylethynyl)cyclohexan-1-amine
CID 51370402
2-(1-chlorocyclopropyl)ethynylbenzene
CID 15744343

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane?
The IUPAC name of trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane (CID 134942107) is trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane.
What is the SMILES notation for trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane?
The canonical SMILES for trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane is C[C@@H]1CCC[C@@]1(C#Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane?
The InChIKey is MANJBJCKOMVWHX-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24OSi/c1-15-9-8-13-17(15,18-19(2,3)4)14-12-16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,13H2,1-4H3/t15-,17+/m1/s1.
What are the key properties of trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane?
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane has a molecular weight of 272.46 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane is sourced from PubChem (CID 134942107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).