methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate

C17H34O6Si — CID 138965548

IUPACmethyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@@H](OC)O[C@@H](OC)[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(7,8)22-10-9-12-13(11-14(18)19-4)16(21-6)23-15(12)20-5/h12-13,15-16H,9-11H2,1-8H3/t12-,13+,15-,16+/m1/s1
InChIKeyDZKRRNFNLQSYNY-CLWVCHIJSA-N
MW362.54 g/mol
LogP3.17
Rot. Bonds8

About methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate

methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate (PubChem CID 138965548) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate
PubChem CID138965548
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Namemethyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@@H](OC)O[C@@H](OC)[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(7,8)22-10-9-12-13(11-14(18)19-4)16(21-6)23-15(12)20-5/h12-13,15-16H,9-11H2,1-8H3/t12-,13+,15-,16+/m1/s1
InChIKeyDZKRRNFNLQSYNY-CLWVCHIJSA-N
XLogP3.17
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1,3-dioxan-2-yl)hexanoate
CID 24814757
methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-trimethylsilyl-1,3-dioxan-1-ium-2-yl)hexanoate
CID 135009711
Diethyl 2-(3-acetyloxy-2,2-dimethyl-3-trimethylsilyloxypropyl)butanedioate
CID 135046118
3-(1,1-Diethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716736
methyl (3S)-3-[(3S)-2-methoxyoxolan-3-yl]butanoate
CID 101018357
methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate
CID 101018358

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate?
The IUPAC name of methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate (CID 138965548) is methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate is COC(=O)C[C@@H]1[C@@H](OC)O[C@@H](OC)[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate?
The InChIKey is DZKRRNFNLQSYNY-CLWVCHIJSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-17(2,3)24(7,8)22-10-9-12-13(11-14(18)19-4)16(21-6)23-15(12)20-5/h12-13,15-16H,9-11H2,1-8H3/t12-,13+,15-,16+/m1/s1.
What are the key properties of methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate?
methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate has a molecular weight of 362.54 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethoxyoxolan-3-yl]acetate is sourced from PubChem (CID 138965548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).