trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane

C18H20OSi — CID 22570241

IUPACtrimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20OSi/c1-20(2,3)13-12-16-10-7-11-18(14-16)19-15-17-8-5-4-6-9-17/h4-11,14H,15H2,1-3H3
InChIKeyOYDHBVUNVLETFT-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.49
Rot. Bonds3

About trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane

trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane (PubChem CID 22570241) has the molecular formula C18H20OSi and a molecular weight of 280.44 g/mol. Its IUPAC name is trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane
PubChem CID22570241
Molecular FormulaC18H20OSi
Molecular Weight280.44 g/mol
Exact Mass280.13
IUPAC Nametrimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20OSi/c1-20(2,3)13-12-16-10-7-11-18(14-16)19-15-17-8-5-4-6-9-17/h4-11,14H,15H2,1-3H3
InChIKeyOYDHBVUNVLETFT-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-[4-(phenoxymethyl)phenyl]ethynyl]silane
CID 134093066
2-(3-ethylphenyl)ethynyl-trimethylsilane
CID 67539193
[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 68608963
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one
CID 142954637
3-[3-(phenoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969909
3-phenylprop-2-ynyl 3-(3-phenylmethoxyphenyl)prop-2-ynoate
CID 19751558
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903
bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene
CID 176656392

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane (CID 22570241) is trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane is C[Si](C)(C)C#Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane?
The InChIKey is OYDHBVUNVLETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OSi/c1-20(2,3)13-12-16-10-7-11-18(14-16)19-15-17-8-5-4-6-9-17/h4-11,14H,15H2,1-3H3.
What are the key properties of trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane?
trimethyl-[2-(3-phenylmethoxyphenyl)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-(3-phenylmethoxyphenyl)ethynyl]silane is sourced from PubChem (CID 22570241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).