ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

C20H44O4Si2 — CID 156726782

IUPACethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCCOC(=O)CCC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-12-22-18(21)14-13-17(2)15-23-26(11,20(6,7)8)16-24-25(9,10)19(3,4)5/h17H,12-16H2,1-11H3
InChIKeyHXTYLOZVDCTVDF-UHFFFAOYSA-N
MW404.74 g/mol
LogP5.92
Rot. Bonds10

About ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (PubChem CID 156726782) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
PubChem CID156726782
Molecular FormulaC20H44O4Si2
Molecular Weight404.74 g/mol
Exact Mass404.28
IUPAC Nameethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCCOC(=O)CCC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-12-22-18(21)14-13-17(2)15-23-26(11,20(6,7)8)16-24-25(9,10)19(3,4)5/h17H,12-16H2,1-11H3
InChIKeyHXTYLOZVDCTVDF-UHFFFAOYSA-N
XLogP5.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.74
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate 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

(2s,4r)-5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentyl acetate
CID 12070742
methyl 3-(R)-methyl-5-(t-butyldimethylsilyloxy)pentanoate
CID 14234521
(2S,4R)-1-Acetoxy-2,4-dimethyl-5-(triisopropylsilyloxy)pentane
CID 9543583
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpentanoate
CID 11953529
methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-trimethylsilyloxypropoxymethyl)hexanoate
CID 135009712
5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14569488
5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
CID 14569496
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
[Tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
3-[[3-(4-Ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527397

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The IUPAC name of ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (CID 156726782) is ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.
What is the SMILES notation for ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The canonical SMILES for ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is CCOC(=O)CCC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The InChIKey is HXTYLOZVDCTVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-12-22-18(21)14-13-17(2)15-23-26(11,20(6,7)8)16-24-25(9,10)19(3,4)5/h17H,12-16H2,1-11H3.
What are the key properties of ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate has a molecular weight of 404.74 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is sourced from PubChem (CID 156726782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).