methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate

C16H32O5Si — CID 10449462

IUPACmethyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H32O5Si/c1-10-12(9-13(17)19-6)20-15(18)11(2)14(10)21-22(7,8)16(3,4)5/h10-12,14-15,18H,9H2,1-8H3/t10-,11+,12+,14-,15?/m0/s1
InChIKeyGHDXLDDGPFYKKB-FYMBCYDESA-N
MW332.51 g/mol
LogP2.93
Rot. Bonds4

About methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate

methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate (PubChem CID 10449462) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate
PubChem CID10449462
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namemethyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H32O5Si/c1-10-12(9-13(17)19-6)20-15(18)11(2)14(10)21-22(7,8)16(3,4)5/h10-12,14-15,18H,9H2,1-8H3/t10-,11+,12+,14-,15?/m0/s1
InChIKeyGHDXLDDGPFYKKB-FYMBCYDESA-N
XLogP2.93
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate (CID 10449462) is methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate is COC(=O)C[C@H]1OC(O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate?
The InChIKey is GHDXLDDGPFYKKB-FYMBCYDESA-N. The full InChI is InChI=1S/C16H32O5Si/c1-10-12(9-13(17)19-6)20-15(18)11(2)14(10)21-22(7,8)16(3,4)5/h10-12,14-15,18H,9H2,1-8H3/t10-,11+,12+,14-,15?/m0/s1.
What are the key properties of methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate?
methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate has a molecular weight of 332.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetate is sourced from PubChem (CID 10449462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).