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

C18H30O3Si — CID 58567262

IUPACpropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30O3Si/c1-14(2)20-17(19)13-16(15-11-9-8-10-12-15)21-22(6,7)18(3,4)5/h8-12,14,16H,13H2,1-7H3/t16-/m1/s1
InChIKeyWISASEOOLVHOED-MRXNPFEDSA-N
MW322.52 g/mol
LogP5.09
Rot. Bonds6

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

propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (PubChem CID 58567262) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
PubChem CID58567262
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30O3Si/c1-14(2)20-17(19)13-16(15-11-9-8-10-12-15)21-22(6,7)18(3,4)5/h8-12,14,16H,13H2,1-7H3/t16-/m1/s1
InChIKeyWISASEOOLVHOED-MRXNPFEDSA-N
XLogP5.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 55.09
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-phenylpropanoate?
The IUPAC name of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (CID 58567262) is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The canonical SMILES for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate is CC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The InChIKey is WISASEOOLVHOED-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-14(2)20-17(19)13-16(15-11-9-8-10-12-15)21-22(6,7)18(3,4)5/h8-12,14,16H,13H2,1-7H3/t16-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate has a molecular weight of 322.52 g/mol, XLogP of 5.09, 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-phenylpropanoate is sourced from PubChem (CID 58567262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).