diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate

C18H36O5Si — CID 141451360

IUPACdiethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate
SMILESCCC[C@@H](CO[Si](C)(C)C(C)(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C18H36O5Si/c1-9-12-14(13-23-24(7,8)18(4,5)6)15(16(19)21-10-2)17(20)22-11-3/h14-15H,9-13H2,1-8H3/t14-/m0/s1
InChIKeyLEMIOQJNGSBZLH-AWEZNQCLSA-N
MW360.57 g/mol
LogP4.17
Rot. Bonds10

About diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate

diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate (PubChem CID 141451360) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate
PubChem CID141451360
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Namediethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate
SMILESCCC[C@@H](CO[Si](C)(C)C(C)(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C18H36O5Si/c1-9-12-14(13-23-24(7,8)18(4,5)6)15(16(19)21-10-2)17(20)22-11-3/h14-15H,9-13H2,1-8H3/t14-/m0/s1
InChIKeyLEMIOQJNGSBZLH-AWEZNQCLSA-N
XLogP4.17
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 ≤ 54.17
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-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate?
The IUPAC name of diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate (CID 141451360) is diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate?
The canonical SMILES for diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate is CCC[C@@H](CO[Si](C)(C)C(C)(C)C)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate?
The InChIKey is LEMIOQJNGSBZLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-9-12-14(13-23-24(7,8)18(4,5)6)15(16(19)21-10-2)17(20)22-11-3/h14-15H,9-13H2,1-8H3/t14-/m0/s1.
What are the key properties of diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate?
diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate has a molecular weight of 360.57 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]propanedioate is sourced from PubChem (CID 141451360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).