bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate

C18H34O6Si2 — CID 91696982

IUPACbis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CC(=O)OC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O6Si2/c1-17(2,3)25(7,8)23-15(20)12-11-13(19)22-14(12)16(21)24-26(9,10)18(4,5)6/h12,14H,11H2,1-10H3
InChIKeyZHXYTSISPDQOGD-UHFFFAOYSA-N
MW402.64 g/mol
LogP4.01
Rot. Bonds4

About bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate

bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate (PubChem CID 91696982) has the molecular formula C18H34O6Si2 and a molecular weight of 402.64 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate
PubChem CID91696982
Molecular FormulaC18H34O6Si2
Molecular Weight402.64 g/mol
Exact Mass402.19
IUPAC Namebis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CC(=O)OC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O6Si2/c1-17(2,3)25(7,8)23-15(20)12-11-13(19)22-14(12)16(21)24-26(9,10)18(4,5)6/h12,14H,11H2,1-10H3
InChIKeyZHXYTSISPDQOGD-UHFFFAOYSA-N
XLogP4.01
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.64
LogP ≤ 54.01
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

2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(4R,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 134973989
Arabinonic acid, 1,4-lactone, TMS
CID 523387
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
Isocitric lactone acid, bis(trimethylsilyl) ester
CID 553088
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
Lyxonic acid, 1,4-lactone, TMS
CID 6427169
(3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 67190955
(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 134849102
2-O-Methylxylaric acid, TMS
CID 523343

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate (CID 91696982) is bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1CC(=O)OC1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate?
The InChIKey is ZHXYTSISPDQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6Si2/c1-17(2,3)25(7,8)23-15(20)12-11-13(19)22-14(12)16(21)24-26(9,10)18(4,5)6/h12,14H,11H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate?
bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate has a molecular weight of 402.64 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 5-oxooxolane-2,3-dicarboxylate is sourced from PubChem (CID 91696982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).