methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate

C16H32O5Si — CID 10991203

IUPACmethyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(7,8)19-10-9-12-11-13(14(17)18-6)21-16(4,5)20-12/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyDRROILOQBYLLKC-CHWSQXEVSA-N
MW332.51 g/mol
LogP3.48
Rot. Bonds5

About methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate

methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate (PubChem CID 10991203) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
PubChem CID10991203
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namemethyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(7,8)19-10-9-12-11-13(14(17)18-6)21-16(4,5)20-12/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyDRROILOQBYLLKC-CHWSQXEVSA-N
XLogP3.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate 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 glucuronide, TMS
CID 609395
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 11087989
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
ethyl 3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 135028246
Butyl glucuronide, TMS
CID 91752365
Ethyl glucuronide, TMS
CID 91752368
Isobutyl glucuronide, TMS
CID 91752372
Isopentyl glucuronide, TMS
CID 91752376
Isopropyl glucuronide, TMS
CID 91752379
Propyl glucuronide, TMS
CID 91752384
(R)-2-Butyl glucuronide, TMS
CID 91752388
(S)-2-Butyl glucuronide, TMS
CID 91752392

Frequently Asked Questions

What is the IUPAC name of methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
The IUPAC name of methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate (CID 10991203) is methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate.
What is the SMILES notation for methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
The canonical SMILES for methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate is COC(=O)[C@H]1C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
The InChIKey is DRROILOQBYLLKC-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-15(2,3)22(7,8)19-10-9-12-11-13(14(17)18-6)21-16(4,5)20-12/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate has a molecular weight of 332.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate is sourced from PubChem (CID 10991203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).