3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione

C16H30O4Si2 — CID 59805381

IUPAC3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione
SMILESCC(C)(C)[Si](C)(C)Oc1c(O[Si](C)(C)C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C16H30O4Si2/c1-15(2,3)21(7,8)19-13-11(17)12(18)14(13)20-22(9,10)16(4,5)6/h1-10H3
InChIKeyVSJYPSLKRHEICB-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.05
Rot. Bonds4

About 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione

3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione (PubChem CID 59805381) has the molecular formula C16H30O4Si2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione
PubChem CID59805381
Molecular FormulaC16H30O4Si2
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Name3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione
SMILESCC(C)(C)[Si](C)(C)Oc1c(O[Si](C)(C)C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C16H30O4Si2/c1-15(2,3)21(7,8)19-13-11(17)12(18)14(13)20-22(9,10)16(4,5)6/h1-10H3
InChIKeyVSJYPSLKRHEICB-UHFFFAOYSA-N
XLogP4.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione (CID 59805381) is 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione is CC(C)(C)[Si](C)(C)Oc1c(O[Si](C)(C)C(C)(C)C)c(=O)c1=O.
What is the InChIKey of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione?
The InChIKey is VSJYPSLKRHEICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si2/c1-15(2,3)21(7,8)19-13-11(17)12(18)14(13)20-22(9,10)16(4,5)6/h1-10H3.
What are the key properties of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione?
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione has a molecular weight of 342.58 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 59805381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).