dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate

C22H44O7Si2 — CID 155931918

IUPACdimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate
SMILESCC[Si](CC)(CC)OC(C)CCC(O[Si](C)(C)C(C)(C)C)(C(=O)OC)C(=O)C(=O)OC
InChIInChI=1S/C22H44O7Si2/c1-12-31(13-2,14-3)28-17(4)15-16-22(20(25)27-9,18(23)19(24)26-8)29-30(10,11)21(5,6)7/h17H,12-16H2,1-11H3
InChIKeyAMZCJEJXCAPIHD-UHFFFAOYSA-N
MW476.76 g/mol
LogP4.85
Rot. Bonds13

About dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate

dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate (PubChem CID 155931918) has the molecular formula C22H44O7Si2 and a molecular weight of 476.76 g/mol. Its IUPAC name is dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate.

Molecular Properties

Compound Namedimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate
PubChem CID155931918
Molecular FormulaC22H44O7Si2
Molecular Weight476.76 g/mol
Exact Mass476.26
IUPAC Namedimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate
SMILESCC[Si](CC)(CC)OC(C)CCC(O[Si](C)(C)C(C)(C)C)(C(=O)OC)C(=O)C(=O)OC
InChIInChI=1S/C22H44O7Si2/c1-12-31(13-2,14-3)28-17(4)15-16-22(20(25)27-9,18(23)19(24)26-8)29-30(10,11)21(5,6)7/h17H,12-16H2,1-11H3
InChIKeyAMZCJEJXCAPIHD-UHFFFAOYSA-N
XLogP4.85
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.76
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate 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 2-[(2S,3R,4R,5S,6S)-2-acetyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]acetate
CID 23631142
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-oxooxolane-2-carboxylate
CID 135020846
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
methyl (2S,3S,4R,5S,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-4,6-dimethyl-7-oxoheptanoate
CID 10027982
methyl (2S,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-4,6-dimethyl-7-oxoheptanoate
CID 89198256
ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate
CID 10929507
dimethyl (2S)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-4-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]-3-oxobutanedioate
CID 11767301
methyl (1R,4S,5R)-3-oxo-1,4,5-tris(trimethylsilyloxy)cyclohexane-1-carboxylate
CID 15087860
dimethyl (2S)-2-[(6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6,8-dimethyl-3-oxodecanoyl]oxybutanedioate
CID 46237118
methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate
CID 71814523

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate?
The IUPAC name of dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate (CID 155931918) is dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate.
What is the SMILES notation for dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate?
The canonical SMILES for dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate is CC[Si](CC)(CC)OC(C)CCC(O[Si](C)(C)C(C)(C)C)(C(=O)OC)C(=O)C(=O)OC.
What is the InChIKey of dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate?
The InChIKey is AMZCJEJXCAPIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O7Si2/c1-12-31(13-2,14-3)28-17(4)15-16-22(20(25)27-9,18(23)19(24)26-8)29-30(10,11)21(5,6)7/h17H,12-16H2,1-11H3.
What are the key properties of dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate?
dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate has a molecular weight of 476.76 g/mol, XLogP of 4.85, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate is sourced from PubChem (CID 155931918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).