ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate

C18H34O5Si — CID 11473829

IUPACethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC(C)=O)O1
InChIInChI=1S/C18H34O5Si/c1-8-21-17(20)12-15-11-16(10-14(22-15)9-13(2)19)23-24(6,7)18(3,4)5/h14-16H,8-12H2,1-7H3/t14-,15-,16-/m1/s1
InChIKeyTVJDSXVYZHIOIJ-BZUAXINKSA-N
MW358.55 g/mol
LogP3.86
Rot. Bonds7

About ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate

ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate (PubChem CID 11473829) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate
PubChem CID11473829
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Nameethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC(C)=O)O1
InChIInChI=1S/C18H34O5Si/c1-8-21-17(20)12-15-11-16(10-14(22-15)9-13(2)19)23-24(6,7)18(3,4)5/h14-16H,8-12H2,1-7H3/t14-,15-,16-/m1/s1
InChIKeyTVJDSXVYZHIOIJ-BZUAXINKSA-N
XLogP3.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate (CID 11473829) is ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate is CCOC(=O)C[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC(C)=O)O1.
What is the InChIKey of ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate?
The InChIKey is TVJDSXVYZHIOIJ-BZUAXINKSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-21-17(20)12-15-11-16(10-14(22-15)9-13(2)19)23-24(6,7)18(3,4)5/h14-16H,8-12H2,1-7H3/t14-,15-,16-/m1/s1.
What are the key properties of ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate?
ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate has a molecular weight of 358.55 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate is sourced from PubChem (CID 11473829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).