1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate

C12H26O5Si2 — CID 91696650

IUPAC1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate
SMILESCCOC(=O)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-8-15-12(14)10(16-18(2,3)4)9-11(13)17-19(5,6)7/h10H,8-9H2,1-7H3
InChIKeyLGUPUKBINNQZHZ-UHFFFAOYSA-N
MW306.51 g/mol
LogP2.54
Rot. Bonds7

About 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate

1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate (PubChem CID 91696650) has the molecular formula C12H26O5Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate
PubChem CID91696650
Molecular FormulaC12H26O5Si2
Molecular Weight306.51 g/mol
Exact Mass306.13
IUPAC Name1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate
SMILESCCOC(=O)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-8-15-12(14)10(16-18(2,3)4)9-11(13)17-19(5,6)7/h10H,8-9H2,1-7H3
InChIKeyLGUPUKBINNQZHZ-UHFFFAOYSA-N
XLogP2.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 52.54
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 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
The IUPAC name of 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate (CID 91696650) is 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
The canonical SMILES for 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate is CCOC(=O)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
The InChIKey is LGUPUKBINNQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si2/c1-8-15-12(14)10(16-18(2,3)4)9-11(13)17-19(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate has a molecular weight of 306.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-trimethylsilyl 2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 91696650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).