[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate

C17H36O3Si2 — CID 5366616

IUPAC[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
SMILESCC/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-12-13-14(19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h13H,12H2,1-11H3/b14-13-
InChIKeyYOJIAVOJAOVKHP-YPKPFQOOSA-N
MW344.64 g/mol
LogP5.85
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate

[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate (PubChem CID 5366616) has the molecular formula C17H36O3Si2 and a molecular weight of 344.64 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
PubChem CID5366616
Molecular FormulaC17H36O3Si2
Molecular Weight344.64 g/mol
Exact Mass344.22
IUPAC Name[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
SMILESCC/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-12-13-14(19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h13H,12H2,1-11H3/b14-13-
InChIKeyYOJIAVOJAOVKHP-YPKPFQOOSA-N
XLogP5.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.64
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 5366729
2-Pentenoic acid, 2-(trimethylsilyl)oxy-4-methyl-, trimethylsilyl ester
CID 5372901
2-Hexenoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 5372914
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
Ketopimelic acid, DMTBS
CID 91752045
2-Pentenoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 553121
Trimethylsilyl 2-trimethylsilyloxyhex-2-enoate
CID 590024

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate (CID 5366616) is [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate is CC/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 [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The InChIKey is YOJIAVOJAOVKHP-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H36O3Si2/c1-12-13-14(19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h13H,12H2,1-11H3/b14-13-.
What are the key properties of [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate has a molecular weight of 344.64 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate is sourced from PubChem (CID 5366616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).