ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate

C22H40O8Si — CID 101055260

IUPACethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@H](OCOC)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C22H40O8Si/c1-10-25-20(23)17-12-15(30-31(8,9)21(2,3)4)11-16(28-17)19(26-14-24-7)18-13-27-22(5,6)29-18/h11,16-19H,10,12-14H2,1-9H3/t16-,17+,18-,19+/m1/s1
InChIKeyVIBSEVVFPKECPL-HCXYKTFWSA-N
MW460.64 g/mol
LogP3.75
Rot. Bonds9

About ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 101055260) has the molecular formula C22H40O8Si and a molecular weight of 460.64 g/mol. Its IUPAC name is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID101055260
Molecular FormulaC22H40O8Si
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@H](OCOC)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C22H40O8Si/c1-10-25-20(23)17-12-15(30-31(8,9)21(2,3)4)11-16(28-17)19(26-14-24-7)18-13-27-22(5,6)29-18/h11,16-19H,10,12-14H2,1-9H3/t16-,17+,18-,19+/m1/s1
InChIKeyVIBSEVVFPKECPL-HCXYKTFWSA-N
XLogP3.75
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate 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 ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate (CID 101055260) is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@H](OCOC)[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is VIBSEVVFPKECPL-HCXYKTFWSA-N. The full InChI is InChI=1S/C22H40O8Si/c1-10-25-20(23)17-12-15(30-31(8,9)21(2,3)4)11-16(28-17)19(26-14-24-7)18-13-27-22(5,6)29-18/h11,16-19H,10,12-14H2,1-9H3/t16-,17+,18-,19+/m1/s1.
What are the key properties of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 460.64 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 101055260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).