2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C19H26O3Si — CID 46190683

IUPAC2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC[Si](C)(C)C)ccc2c1
InChIInChI=1S/C19H26O3Si/c1-14(19(20)22-10-11-23(3,4)5)15-6-7-17-13-18(21-2)9-8-16(17)12-15/h6-9,12-14H,10-11H2,1-5H3/t14-/m0/s1
InChIKeyZNDRMBGZDWQVIT-AWEZNQCLSA-N
MW330.50 g/mol
LogP4.83
Rot. Bonds6

About 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 46190683) has the molecular formula C19H26O3Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID46190683
Molecular FormulaC19H26O3Si
Molecular Weight330.50 g/mol
Exact Mass330.17
IUPAC Name2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC[Si](C)(C)C)ccc2c1
InChIInChI=1S/C19H26O3Si/c1-14(19(20)22-10-11-23(3,4)5)15-6-7-17-13-18(21-2)9-8-16(17)12-15/h6-9,12-14H,10-11H2,1-5H3/t14-/m0/s1
InChIKeyZNDRMBGZDWQVIT-AWEZNQCLSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 46190683) is 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC[Si](C)(C)C)ccc2c1.
What is the InChIKey of 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is ZNDRMBGZDWQVIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26O3Si/c1-14(19(20)22-10-11-23(3,4)5)15-6-7-17-13-18(21-2)9-8-16(17)12-15/h6-9,12-14H,10-11H2,1-5H3/t14-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 330.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 46190683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).