ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate

C16H32O5Si — CID 14621461

IUPACethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate
SMILESCCOC(=O)C[C@H]1CO[C@@H](C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-8-18-15(17)9-13-10-19-12(2)21-14(13)11-20-22(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t12-,13+,14+/m1/s1
InChIKeyQJRSWFJHLMPASS-RDBSUJKOSA-N
MW332.51 g/mol
LogP3.34
Rot. Bonds6

About ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate

ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate (PubChem CID 14621461) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate
PubChem CID14621461
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Nameethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate
SMILESCCOC(=O)C[C@H]1CO[C@@H](C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-8-18-15(17)9-13-10-19-12(2)21-14(13)11-20-22(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t12-,13+,14+/m1/s1
InChIKeyQJRSWFJHLMPASS-RDBSUJKOSA-N
XLogP3.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.34
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,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate (CID 14621461) is ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate is CCOC(=O)C[C@H]1CO[C@@H](C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate?
The InChIKey is QJRSWFJHLMPASS-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-8-18-15(17)9-13-10-19-12(2)21-14(13)11-20-22(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t12-,13+,14+/m1/s1.
What are the key properties of ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate?
ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate has a molecular weight of 332.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetate is sourced from PubChem (CID 14621461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).