methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate

C21H38O9Si — CID 10874239

IUPACmethyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate
SMILESCOC(=O)C[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](OC)C(=O)OC)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C21H38O9Si/c1-19(2,3)31(9,10)27-12-21(11-13(22)24-6)15(14(25-7)17(23)26-8)28-18-16(21)29-20(4,5)30-18/h14-16,18H,11-12H2,1-10H3/t14-,15-,16+,18-,21-/m1/s1
InChIKeyKXVPZDFPQBGTLN-QQSMOKJMSA-N
MW462.61 g/mol
LogP2.62
Rot. Bonds8

About methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate

methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate (PubChem CID 10874239) has the molecular formula C21H38O9Si and a molecular weight of 462.61 g/mol. Its IUPAC name is methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate
PubChem CID10874239
Molecular FormulaC21H38O9Si
Molecular Weight462.61 g/mol
Exact Mass462.23
IUPAC Namemethyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate
SMILESCOC(=O)C[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](OC)C(=O)OC)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C21H38O9Si/c1-19(2,3)31(9,10)27-12-21(11-13(22)24-6)15(14(25-7)17(23)26-8)28-18-16(21)29-20(4,5)30-18/h14-16,18H,11-12H2,1-10H3/t14-,15-,16+,18-,21-/m1/s1
InChIKeyKXVPZDFPQBGTLN-QQSMOKJMSA-N
XLogP2.62
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone
CID 139067157
Diacetone-D-galacturonic acid, TBDMS derivative
CID 91697282
(2,3-diacetyloxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate
CID 59711372
(2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate
CID 59711497
(4,4-Dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 68223800
[2-[(4,4-Dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl)oxy]-2-oxoethyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 90966072
[2-[(4,4-Dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl)oxy]-2-oxoethyl] 2-tert-butyl-4,4-dimethylpentanoate
CID 91420623
(4,4-Dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-ethyl-2,4,4-trimethylpentanoate
CID 123159237
1-(2,4-dioxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl)ethyl 2-ethyl-4,4-dimethylpentanoate
CID 145686519
methyl 2-[(2R,3S,4R)-3,4,5-triacetyloxy-2-[2-[2-[2-tri(propan-2-yl)silyloxyethoxy]ethoxy]ethoxymethyl]oxolan-2-yl]acetate
CID 170548820
methyl 2-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetate
CID 10360286

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate?
The IUPAC name of methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate (CID 10874239) is methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate.
What is the SMILES notation for methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate?
The canonical SMILES for methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate is COC(=O)C[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](OC)C(=O)OC)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate?
The InChIKey is KXVPZDFPQBGTLN-QQSMOKJMSA-N. The full InChI is InChI=1S/C21H38O9Si/c1-19(2,3)31(9,10)27-12-21(11-13(22)24-6)15(14(25-7)17(23)26-8)28-18-16(21)29-20(4,5)30-18/h14-16,18H,11-12H2,1-10H3/t14-,15-,16+,18-,21-/m1/s1.
What are the key properties of methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate?
methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate has a molecular weight of 462.61 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3aR,5S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-methoxyacetate is sourced from PubChem (CID 10874239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).