3-naphthalen-2-yl-2-trimethylsilylpropanoic acid

C16H20O2Si — CID 101099223

IUPAC3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
SMILESC[Si](C)(C)C(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H20O2Si/c1-19(2,3)15(16(17)18)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,17,18)
InChIKeyKZGFIQAGYODOQG-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.18
Rot. Bonds4

About 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid

3-naphthalen-2-yl-2-trimethylsilylpropanoic acid (PubChem CID 101099223) has the molecular formula C16H20O2Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
PubChem CID101099223
Molecular FormulaC16H20O2Si
Molecular Weight272.42 g/mol
Exact Mass272.12
IUPAC Name3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
SMILESC[Si](C)(C)C(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H20O2Si/c1-19(2,3)15(16(17)18)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,17,18)
InChIKeyKZGFIQAGYODOQG-UHFFFAOYSA-N
XLogP4.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
(2R)-2-bromo-3-naphthalen-2-ylpropanoic acid;methane;methanol;methyl (2R)-2-bromo-3-naphthalen-2-ylpropanoate
CID 160827622
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
3-methyl-4-[3-(3-methyl-2-oxobutyl)phenyl]-1-naphthalen-2-ylbutan-2-one
CID 166677264

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid?
The IUPAC name of 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid (CID 101099223) is 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid.
What is the SMILES notation for 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid?
The canonical SMILES for 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid is C[Si](C)(C)C(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid?
The InChIKey is KZGFIQAGYODOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2Si/c1-19(2,3)15(16(17)18)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,17,18).
What are the key properties of 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid?
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid has a molecular weight of 272.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-trimethylsilylpropanoic acid is sourced from PubChem (CID 101099223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).