methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate

C43H54O7Si2 — CID 10032920

IUPACmethyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate
SMILESCOC(=O)C(=O)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H54O7Si2/c1-41(2,3)51(32-22-14-10-15-23-32,33-24-16-11-17-25-33)47-31-38-39(49-43(7,8)48-38)37(30-36(44)40(45)46-9)50-52(42(4,5)6,34-26-18-12-19-27-34)35-28-20-13-21-29-35/h10-29,37-39H,30-31H2,1-9H3/t37-,38-,39+/m1/s1
InChIKeyXKEBUETXCKQDRU-PHAUOLPESA-N
MW739.07 g/mol
LogP6.16
Rot. Bonds13

About methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate

methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate (PubChem CID 10032920) has the molecular formula C43H54O7Si2 and a molecular weight of 739.07 g/mol. Its IUPAC name is methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate.

Molecular Properties

Compound Namemethyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate
PubChem CID10032920
Molecular FormulaC43H54O7Si2
Molecular Weight739.07 g/mol
Exact Mass738.34
IUPAC Namemethyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate
SMILESCOC(=O)C(=O)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H54O7Si2/c1-41(2,3)51(32-22-14-10-15-23-32,33-24-16-11-17-25-33)47-31-38-39(49-43(7,8)48-38)37(30-36(44)40(45)46-9)50-52(42(4,5)6,34-26-18-12-19-27-34)35-28-20-13-21-29-35/h10-29,37-39H,30-31H2,1-9H3/t37-,38-,39+/m1/s1
InChIKeyXKEBUETXCKQDRU-PHAUOLPESA-N
XLogP6.16
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.07
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate 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 (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate?
The IUPAC name of methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate (CID 10032920) is methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate.
What is the SMILES notation for methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate?
The canonical SMILES for methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate is COC(=O)C(=O)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate?
The InChIKey is XKEBUETXCKQDRU-PHAUOLPESA-N. The full InChI is InChI=1S/C43H54O7Si2/c1-41(2,3)51(32-22-14-10-15-23-32,33-24-16-11-17-25-33)47-31-38-39(49-43(7,8)48-38)37(30-36(44)40(45)46-9)50-52(42(4,5)6,34-26-18-12-19-27-34)35-28-20-13-21-29-35/h10-29,37-39H,30-31H2,1-9H3/t37-,38-,39+/m1/s1.
What are the key properties of methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate?
methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate has a molecular weight of 739.07 g/mol, XLogP of 6.16, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate is sourced from PubChem (CID 10032920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).