1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate

C15H34O6Si3 — CID 553028

IUPAC1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O6Si3/c1-11-18-14(16)12(19-22(2,3)4)13(20-23(5,6)7)15(17)21-24(8,9)10/h12-13H,11H2,1-10H3
InChIKeySXWHBLVYVDZRDL-UHFFFAOYSA-N
MW394.69 g/mol
LogP3.37
Rot. Bonds9

About 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate

1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 553028) has the molecular formula C15H34O6Si3 and a molecular weight of 394.69 g/mol. Its IUPAC name is 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID553028
Molecular FormulaC15H34O6Si3
Molecular Weight394.69 g/mol
Exact Mass394.17
IUPAC Name1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O6Si3/c1-11-18-14(16)12(19-22(2,3)4)13(20-23(5,6)7)15(17)21-24(8,9)10/h12-13H,11H2,1-10H3
InChIKeySXWHBLVYVDZRDL-UHFFFAOYSA-N
XLogP3.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.69
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Threono-1,4-lactone, bis-TMS
CID 523398
(3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-one
CID 6427168
Dimethyl 2-[(trimethylsilyl)oxy]succinate
CID 552624
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
Bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate
CID 88550840
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Erythraric acid, TMS
CID 523397
Xylonic acid, 2,3,4-tris-O-(trimethylsilyl)-, delta-lactone, D-
CID 523413

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate (CID 553028) is 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate is CCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is SXWHBLVYVDZRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O6Si3/c1-11-18-14(16)12(19-22(2,3)4)13(20-23(5,6)7)15(17)21-24(8,9)10/h12-13H,11H2,1-10H3.
What are the key properties of 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate?
1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 394.69 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-trimethylsilyl 2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 553028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).