diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate

C18H36O5Si — CID 19904689

IUPACdiethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
SMILESCCOC(=O)C(CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C18H36O5Si/c1-9-21-16(19)15(17(20)22-10-2)13-11-12-14(3)23-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyGFLZLEPSJDUOPS-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.31
Rot. Bonds10

About diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate

diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate (PubChem CID 19904689) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
PubChem CID19904689
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Namediethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
SMILESCCOC(=O)C(CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C18H36O5Si/c1-9-21-16(19)15(17(20)22-10-2)13-11-12-14(3)23-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyGFLZLEPSJDUOPS-UHFFFAOYSA-N
XLogP4.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The IUPAC name of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate (CID 19904689) is diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate.
What is the SMILES notation for diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The canonical SMILES for diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate is CCOC(=O)C(CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The InChIKey is GFLZLEPSJDUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-9-21-16(19)15(17(20)22-10-2)13-11-12-14(3)23-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3.
What are the key properties of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate has a molecular weight of 360.57 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate is sourced from PubChem (CID 19904689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).