propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate

C22H32O3Si — CID 58567263

IUPACpropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate
SMILESCC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C22H32O3Si/c1-16(2)24-21(23)15-20(25-26(6,7)22(3,4)5)19-13-12-17-10-8-9-11-18(17)14-19/h8-14,16,20H,15H2,1-7H3/t20-/m1/s1
InChIKeyWFPUHICORXHANH-HXUWFJFHSA-N
MW372.58 g/mol
LogP6.24
Rot. Bonds6

About propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate

propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate (PubChem CID 58567263) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate
PubChem CID58567263
Molecular FormulaC22H32O3Si
Molecular Weight372.58 g/mol
Exact Mass372.21
IUPAC Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate
SMILESCC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C22H32O3Si/c1-16(2)24-21(23)15-20(25-26(6,7)22(3,4)5)19-13-12-17-10-8-9-11-18(17)14-19/h8-14,16,20H,15H2,1-7H3/t20-/m1/s1
InChIKeyWFPUHICORXHANH-HXUWFJFHSA-N
XLogP6.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 56.24
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 propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate?
The IUPAC name of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate (CID 58567263) is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate?
The canonical SMILES for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate is CC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate?
The InChIKey is WFPUHICORXHANH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-16(2)24-21(23)15-20(25-26(6,7)22(3,4)5)19-13-12-17-10-8-9-11-18(17)14-19/h8-14,16,20H,15H2,1-7H3/t20-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate?
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate has a molecular weight of 372.58 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 58567263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).