diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate

C15H30O5Si — CID 87206553

IUPACdiethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCOC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C15H30O5Si/c1-8-18-13(16)11-10-12(14(17)19-9-2)20-21(6,7)15(3,4)5/h12H,8-11H2,1-7H3
InChIKeyJAJZNZSPRCFCGE-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.28
Rot. Bonds8

About diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate

diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 87206553) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Namediethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID87206553
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namediethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCOC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C15H30O5Si/c1-8-18-13(16)11-10-12(14(17)19-9-2)20-21(6,7)15(3,4)5/h12H,8-11H2,1-7H3
InChIKeyJAJZNZSPRCFCGE-UHFFFAOYSA-N
XLogP3.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 87206553) is diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate is CCOC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is JAJZNZSPRCFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-8-18-13(16)11-10-12(14(17)19-9-2)20-21(6,7)15(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 318.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 87206553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).