propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate

C20H34O3Si — CID 58567270

IUPACpropan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate
SMILESCC(C)OC(=O)C[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O3Si/c1-16(2)22-19(21)15-18(23-24(6,7)20(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,16,18H,13-15H2,1-7H3/t18-/m0/s1
InChIKeyAMYBJVBQYUMSFZ-SFHVURJKSA-N
MW350.57 g/mol
LogP5.35
Rot. Bonds8

About propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate

propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate (PubChem CID 58567270) has the molecular formula C20H34O3Si and a molecular weight of 350.57 g/mol. Its IUPAC name is propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate.

Molecular Properties

Compound Namepropan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate
PubChem CID58567270
Molecular FormulaC20H34O3Si
Molecular Weight350.57 g/mol
Exact Mass350.23
IUPAC Namepropan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate
SMILESCC(C)OC(=O)C[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O3Si/c1-16(2)22-19(21)15-18(23-24(6,7)20(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,16,18H,13-15H2,1-7H3/t18-/m0/s1
InChIKeyAMYBJVBQYUMSFZ-SFHVURJKSA-N
XLogP5.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.35
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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate?
The IUPAC name of propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate (CID 58567270) is propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate.
What is the SMILES notation for propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate?
The canonical SMILES for propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate is CC(C)OC(=O)C[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate?
The InChIKey is AMYBJVBQYUMSFZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-16(2)22-19(21)15-18(23-24(6,7)20(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,16,18H,13-15H2,1-7H3/t18-/m0/s1.
What are the key properties of propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate?
propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate has a molecular weight of 350.57 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate is sourced from PubChem (CID 58567270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).