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

C12H26O5Si2 — CID 91696660

IUPAC4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate
SMILESCCOC(=O)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-8-15-11(13)9-10(16-18(2,3)4)12(14)17-19(5,6)7/h10H,8-9H2,1-7H3
InChIKeyACCAFMWOKAAURJ-UHFFFAOYSA-N
MW306.51 g/mol
LogP2.54
Rot. Bonds7

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

4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate (PubChem CID 91696660) has the molecular formula C12H26O5Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Name4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate
PubChem CID91696660
Molecular FormulaC12H26O5Si2
Molecular Weight306.51 g/mol
Exact Mass306.13
IUPAC Name4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate
SMILESCCOC(=O)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-8-15-11(13)9-10(16-18(2,3)4)12(14)17-19(5,6)7/h10H,8-9H2,1-7H3
InChIKeyACCAFMWOKAAURJ-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'}

Analyze 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
Erythraric acid, TMS
CID 523397
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
The IUPAC name of 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate (CID 91696660) is 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate.
What is the SMILES notation for 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
The canonical SMILES for 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate is CCOC(=O)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
The InChIKey is ACCAFMWOKAAURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si2/c1-8-15-11(13)9-10(16-18(2,3)4)12(14)17-19(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate?
4-O-ethyl 1-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 4-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 91696660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).