ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate

C21H46O4Si2 — CID 156726779

IUPACethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate
SMILESCCOC(=O)C(C)CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-13-23-19(22)17(2)14-18(15-24-26(9,10)20(3,4)5)16-25-27(11,12)21(6,7)8/h17-18H,13-16H2,1-12H3
InChIKeySQSYSOWTFXWRIL-UHFFFAOYSA-N
MW418.77 g/mol
LogP6.24
Rot. Bonds10

About ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate (PubChem CID 156726779) has the molecular formula C21H46O4Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate
PubChem CID156726779
Molecular FormulaC21H46O4Si2
Molecular Weight418.77 g/mol
Exact Mass418.29
IUPAC Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate
SMILESCCOC(=O)C(C)CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-13-23-19(22)17(2)14-18(15-24-26(9,10)20(3,4)5)16-25-27(11,12)21(6,7)8/h17-18H,13-16H2,1-12H3
InChIKeySQSYSOWTFXWRIL-UHFFFAOYSA-N
XLogP6.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.24
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(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate 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 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate?
The IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate (CID 156726779) is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate.
What is the SMILES notation for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate?
The canonical SMILES for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate is CCOC(=O)C(C)CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate?
The InChIKey is SQSYSOWTFXWRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4Si2/c1-13-23-19(22)17(2)14-18(15-24-26(9,10)20(3,4)5)16-25-27(11,12)21(6,7)8/h17-18H,13-16H2,1-12H3.
What are the key properties of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate?
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate has a molecular weight of 418.77 g/mol, XLogP of 6.24, 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(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate is sourced from PubChem (CID 156726779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).