bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate

C23H48O5Si3 — CID 5366816

IUPACbis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si3/c1-21(2,3)29(10,11)26-18(20(25)28-31(14,15)23(7,8)9)16-17-19(24)27-30(12,13)22(4,5)6/h16H,17H2,1-15H3/b18-16+
InChIKeyZROFXMRAYAXTRJ-FBMGVBCBSA-N
MW488.89 g/mol
LogP7.38
Rot. Bonds7

About bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate

bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate (PubChem CID 5366816) has the molecular formula C23H48O5Si3 and a molecular weight of 488.89 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate
PubChem CID5366816
Molecular FormulaC23H48O5Si3
Molecular Weight488.89 g/mol
Exact Mass488.28
IUPAC Namebis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si3/c1-21(2,3)29(10,11)26-18(20(25)28-31(14,15)23(7,8)9)16-17-19(24)27-30(12,13)22(4,5)6/h16H,17H2,1-15H3/b18-16+
InChIKeyZROFXMRAYAXTRJ-FBMGVBCBSA-N
XLogP7.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.89
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Trimethylsiloxypent-2-enoic acid trimethylsilyl ester
CID 5366610
2-Pentenedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 5366622
2-Hexenedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 5366645
2-Pentenoic acid, 2-(trimethylsilyl)oxy-4-methyl-, trimethylsilyl ester
CID 5372901
Tert-butyl(dimethyl)silyl-2-([tert-butyl(dimethyl)silyl]oxy)hex-2-enoate
CID 6430553
alpha-Ketoglutaric acid, tert-butyldimethylsilyl ether, bis(tert-butyldimethylsilyl) ester
CID 21160104
Oxaloacetic acid, MO TBDMS # 1
CID 91745042
3-Methylglutaconic acid, diTBDMS
CID 6430559
Ketopimelic acid, DMTBS
CID 91752045
2-Ketoisocaproic acid, diTBDMS
CID 5366592
2-Pentenoic acid, 2-[(tert-butyldimethylsilyl)oxy]-3-methyl-, tert-butyldimethylsilyl ester
CID 5366606
tert-Butyl(dimethyl)silyl (2Z)-2-([tert-butyl(dimethyl)silyl]oxy)-2-butenoate
CID 5366614

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate (CID 5366816) is bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate is CC(C)(C)[Si](C)(C)OC(=O)C/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate?
The InChIKey is ZROFXMRAYAXTRJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C23H48O5Si3/c1-21(2,3)29(10,11)26-18(20(25)28-31(14,15)23(7,8)9)16-17-19(24)27-30(12,13)22(4,5)6/h16H,17H2,1-15H3/b18-16+.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate has a molecular weight of 488.89 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] (E)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enedioate is sourced from PubChem (CID 5366816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).