[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol

C16H18OSi — CID 15355674

IUPAC[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
SMILESC[Si](C)(C)C#Cc1c(CO)ccc2ccccc12
InChIInChI=1S/C16H18OSi/c1-18(2,3)11-10-16-14(12-17)9-8-13-6-4-5-7-15(13)16/h4-9,17H,12H2,1-3H3
InChIKeyBCAFNJBDVSXBLP-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.56
Rot. Bonds1

About [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol

[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol (PubChem CID 15355674) has the molecular formula C16H18OSi and a molecular weight of 254.41 g/mol. Its IUPAC name is [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
PubChem CID15355674
Molecular FormulaC16H18OSi
Molecular Weight254.41 g/mol
Exact Mass254.11
IUPAC Name[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
SMILESC[Si](C)(C)C#Cc1c(CO)ccc2ccccc12
InChIInChI=1S/C16H18OSi/c1-18(2,3)11-10-16-14(12-17)9-8-13-6-4-5-7-15(13)16/h4-9,17H,12H2,1-3H3
InChIKeyBCAFNJBDVSXBLP-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
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

2-[2-(but-2-ynoxymethyl)naphthalen-1-yl]ethynyl-trimethylsilane
CID 15355673
CID 137295730
CID 137295730
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
(1-methylnaphthalen-2-yl)methanol
CID 15054223
2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
CID 142472984
10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
CID 86230221
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
CID 66640173
[2-(hydroxymethyl)naphthalen-1-yl]boronic acid
CID 141383455
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
CID 15355669
trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656

Frequently Asked Questions

What is the IUPAC name of [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol?
The IUPAC name of [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol (CID 15355674) is [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol.
What is the SMILES notation for [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol?
The canonical SMILES for [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol is C[Si](C)(C)C#Cc1c(CO)ccc2ccccc12.
What is the InChIKey of [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol?
The InChIKey is BCAFNJBDVSXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSi/c1-18(2,3)11-10-16-14(12-17)9-8-13-6-4-5-7-15(13)16/h4-9,17H,12H2,1-3H3.
What are the key properties of [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol?
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol has a molecular weight of 254.41 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol is sourced from PubChem (CID 15355674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).