methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

C20H38O5Si — CID 11395069

IUPACmethyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](CC=O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C20H38O5Si/c1-13(2)26(14(3)4,15(5)6)25-19-11-17(9-10-21)24-18(16(19)7)12-20(22)23-8/h10,13-19H,9,11-12H2,1-8H3/t16-,17+,18-,19-/m1/s1
InChIKeyZMOBBILNJCOWLN-FCGDIQPGSA-N
MW386.61 g/mol
LogP4.49
Rot. Bonds9

About methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (PubChem CID 11395069) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
PubChem CID11395069
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namemethyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](CC=O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C20H38O5Si/c1-13(2)26(14(3)4,15(5)6)25-19-11-17(9-10-21)24-18(16(19)7)12-20(22)23-8/h10,13-19H,9,11-12H2,1-8H3/t16-,17+,18-,19-/m1/s1
InChIKeyZMOBBILNJCOWLN-FCGDIQPGSA-N
XLogP4.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (CID 11395069) is methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is COC(=O)C[C@H]1O[C@@H](CC=O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C.
What is the InChIKey of methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The InChIKey is ZMOBBILNJCOWLN-FCGDIQPGSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-13(2)26(14(3)4,15(5)6)25-19-11-17(9-10-21)24-18(16(19)7)12-20(22)23-8/h10,13-19H,9,11-12H2,1-8H3/t16-,17+,18-,19-/m1/s1.
What are the key properties of methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate has a molecular weight of 386.61 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is sourced from PubChem (CID 11395069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).