2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane

C20H22OSi — CID 15355673

IUPAC2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane
SMILESCC#CCOCc1ccc2ccccc2c1C#C[Si](C)(C)C
InChIInChI=1S/C20H22OSi/c1-5-6-14-21-16-18-12-11-17-9-7-8-10-19(17)20(18)13-15-22(2,3)4/h7-12H,14,16H2,1-4H3
InChIKeyWZPXXPGMIAIZIG-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.61
Rot. Bonds3

About 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane

2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane (PubChem CID 15355673) has the molecular formula C20H22OSi and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane
PubChem CID15355673
Molecular FormulaC20H22OSi
Molecular Weight306.48 g/mol
Exact Mass306.14
IUPAC Name2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane
SMILESCC#CCOCc1ccc2ccccc2c1C#C[Si](C)(C)C
InChIInChI=1S/C20H22OSi/c1-5-6-14-21-16-18-12-11-17-9-7-8-10-19(17)20(18)13-15-22(2,3)4/h7-12H,14,16H2,1-4H3
InChIKeyWZPXXPGMIAIZIG-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674
CID 137295730
CID 137295730
3-but-2-ynoxy-4-[2-(3-but-2-ynoxyphenanthren-4-yl)ethynyl]phenanthrene
CID 132942107
trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
CID 102311843
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
CID 142472984
10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
CID 86230221
2,3-bis(but-2-ynoxy)naphthalene
CID 155470576
ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane
CID 159053069
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
CID 66640173
N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 62311911

Frequently Asked Questions

What is the IUPAC name of 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane (CID 15355673) is 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane is CC#CCOCc1ccc2ccccc2c1C#C[Si](C)(C)C.
What is the InChIKey of 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane?
The InChIKey is WZPXXPGMIAIZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OSi/c1-5-6-14-21-16-18-12-11-17-9-7-8-10-19(17)20(18)13-15-22(2,3)4/h7-12H,14,16H2,1-4H3.
What are the key properties of 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane?
2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane has a molecular weight of 306.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 15355673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).