ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate

C21H38O8Si — CID 85310489

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)=CC(C2OC(C)OCC2OCOC)O1
InChIInChI=1S/C21H38O8Si/c1-9-24-20(22)17-11-15(29-30(7,8)21(3,4)5)10-16(28-17)19-18(26-13-23-6)12-25-14(2)27-19/h10,14,16-19H,9,11-13H2,1-8H3
InChIKeyFTUDGAVGYDNMJE-UHFFFAOYSA-N
MW446.61 g/mol
LogP3.36
Rot. Bonds8

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 85310489) has the molecular formula C21H38O8Si and a molecular weight of 446.61 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID85310489
Molecular FormulaC21H38O8Si
Molecular Weight446.61 g/mol
Exact Mass446.23
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)=CC(C2OC(C)OCC2OCOC)O1
InChIInChI=1S/C21H38O8Si/c1-9-24-20(22)17-11-15(29-30(7,8)21(3,4)5)10-16(28-17)19-18(26-13-23-6)12-25-14(2)27-19/h10,14,16-19H,9,11-13H2,1-8H3
InChIKeyFTUDGAVGYDNMJE-UHFFFAOYSA-N
XLogP3.36
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 53.36
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 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-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 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate (CID 85310489) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)=CC(C2OC(C)OCC2OCOC)O1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is FTUDGAVGYDNMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O8Si/c1-9-24-20(22)17-11-15(29-30(7,8)21(3,4)5)10-16(28-17)19-18(26-13-23-6)12-25-14(2)27-19/h10,14,16-19H,9,11-13H2,1-8H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 446.61 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 85310489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).