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

C16H34O3Si2 — CID 5366614

IUPAC[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
SMILESC/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-12-13(18-20(8,9)15(2,3)4)14(17)19-21(10,11)16(5,6)7/h12H,1-11H3/b13-12-
InChIKeyCSHKXOBILPJISJ-SEYXRHQNSA-N
MW330.62 g/mol
LogP5.46
Rot. Bonds4

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

[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate (PubChem CID 5366614) has the molecular formula C16H34O3Si2 and a molecular weight of 330.62 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
PubChem CID5366614
Molecular FormulaC16H34O3Si2
Molecular Weight330.62 g/mol
Exact Mass330.20
IUPAC Name[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
SMILESC/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-12-13(18-20(8,9)15(2,3)4)14(17)19-21(10,11)16(5,6)7/h12H,1-11H3/b13-12-
InChIKeyCSHKXOBILPJISJ-SEYXRHQNSA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.62
LogP ≤ 55.46
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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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate (CID 5366614) is [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate is 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 [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The InChIKey is CSHKXOBILPJISJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H34O3Si2/c1-12-13(18-20(8,9)15(2,3)4)14(17)19-21(10,11)16(5,6)7/h12H,1-11H3/b13-12-.
What are the key properties of [tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enoate has a molecular weight of 330.62 g/mol, XLogP of 5.46, 4 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]oxybut-2-enoate is sourced from PubChem (CID 5366614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).