trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane

C18H20OSi — CID 134093066

IUPACtrimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C18H20OSi/c1-20(2,3)14-13-16-9-11-17(12-10-16)15-19-18-7-5-4-6-8-18/h4-12H,15H2,1-3H3
InChIKeyCKIOIFOUAFQDBQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.49
Rot. Bonds3

About trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane

trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane (PubChem CID 134093066) has the molecular formula C18H20OSi and a molecular weight of 280.44 g/mol. Its IUPAC name is trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
PubChem CID134093066
Molecular FormulaC18H20OSi
Molecular Weight280.44 g/mol
Exact Mass280.13
IUPAC Nametrimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C18H20OSi/c1-20(2,3)14-13-16-9-11-17(12-10-16)15-19-18-7-5-4-6-8-18/h4-12H,15H2,1-3H3
InChIKeyCKIOIFOUAFQDBQ-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.49
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-[2-(3-phenylmethoxyphenyl)ethynyl]silane
CID 22570241
3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
CID 54970199
tert-butyl [4-[[4-(2-trimethylsilylethynyl)phenyl]methoxy]phenyl] carbonate
CID 22925788
dipotassium;1-ethynyl-4-phenylmethoxybenzene;ethynyl(trimethyl)silane;hydride;1-iodo-4-phenylmethoxybenzene;methanol;oxido formate;trimethyl-[2-(4-phenylmethoxyphenyl)ethynyl]silane
CID 157475703
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-(phenoxymethyl)aniline
CID 12712561
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
4-(2-trimethylsilylethynyl)phenol
CID 10750210
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane (CID 134093066) is trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc(COc2ccccc2)cc1.
What is the InChIKey of trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane?
The InChIKey is CKIOIFOUAFQDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OSi/c1-20(2,3)14-13-16-9-11-17(12-10-16)15-19-18-7-5-4-6-8-18/h4-12H,15H2,1-3H3.
What are the key properties of trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane?
trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane has a molecular weight of 280.44 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane is sourced from PubChem (CID 134093066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).