5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C17H34O5Si — CID 25034097

IUPAC5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCOC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-10-20-14(18)11-13(12-15(19)21-16(2,3)4)22-23(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m1/s1
InChIKeyYMWRRNKSXGCJGA-CYBMUJFWSA-N
MW346.54 g/mol
LogP4.06
Rot. Bonds7

About 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 25034097) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Name5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID25034097
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCOC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-10-20-14(18)11-13(12-15(19)21-16(2,3)4)22-23(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m1/s1
InChIKeyYMWRRNKSXGCJGA-CYBMUJFWSA-N
XLogP4.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.06
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 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 25034097) is 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is CCOC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is YMWRRNKSXGCJGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-10-20-14(18)11-13(12-15(19)21-16(2,3)4)22-23(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m1/s1.
What are the key properties of 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 346.54 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 1-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 25034097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).