methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate

C15H30O6Si — CID 11221338

IUPACmethyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](OCOCC[Si](C)(C)C)C[C@@H](OC)O1
InChIInChI=1S/C15H30O6Si/c1-17-14(16)9-13-8-12(10-15(18-2)21-13)20-11-19-6-7-22(3,4)5/h12-13,15H,6-11H2,1-5H3/t12-,13-,15+/m1/s1
InChIKeySAALLGDZJUOCFX-NFAWXSAZSA-N
MW334.49 g/mol
LogP2.40
Rot. Bonds9

About methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate

methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate (PubChem CID 11221338) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate
PubChem CID11221338
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Namemethyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](OCOCC[Si](C)(C)C)C[C@@H](OC)O1
InChIInChI=1S/C15H30O6Si/c1-17-14(16)9-13-8-12(10-15(18-2)21-13)20-11-19-6-7-22(3,4)5/h12-13,15H,6-11H2,1-5H3/t12-,13-,15+/m1/s1
InChIKeySAALLGDZJUOCFX-NFAWXSAZSA-N
XLogP2.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate (CID 11221338) is methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate is COC(=O)C[C@H]1C[C@@H](OCOCC[Si](C)(C)C)C[C@@H](OC)O1.
What is the InChIKey of methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate?
The InChIKey is SAALLGDZJUOCFX-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-17-14(16)9-13-8-12(10-15(18-2)21-13)20-11-19-6-7-22(3,4)5/h12-13,15H,6-11H2,1-5H3/t12-,13-,15+/m1/s1.
What are the key properties of methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate?
methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate has a molecular weight of 334.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate is sourced from PubChem (CID 11221338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).