3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione

C10H18O4Si2 — CID 553390

IUPAC3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione
SMILESC[Si](C)(C)Oc1c(O[Si](C)(C)C)c(=O)c1=O
InChIInChI=1S/C10H18O4Si2/c1-15(2,3)13-9-7(11)8(12)10(9)14-16(4,5)6/h1-6H3
InChIKeyGONWSVYCROWEPN-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.71
Rot. Bonds4

About 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione

3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione (PubChem CID 553390) has the molecular formula C10H18O4Si2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione
PubChem CID553390
Molecular FormulaC10H18O4Si2
Molecular Weight258.42 g/mol
Exact Mass258.07
IUPAC Name3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione
SMILESC[Si](C)(C)Oc1c(O[Si](C)(C)C)c(=O)c1=O
InChIInChI=1S/C10H18O4Si2/c1-15(2,3)13-9-7(11)8(12)10(9)14-16(4,5)6/h1-6H3
InChIKeyGONWSVYCROWEPN-UHFFFAOYSA-N
XLogP1.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.71
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(trimethylsilyloxy)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione (CID 553390) is 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione is C[Si](C)(C)Oc1c(O[Si](C)(C)C)c(=O)c1=O.
What is the InChIKey of 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione?
The InChIKey is GONWSVYCROWEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si2/c1-15(2,3)13-9-7(11)8(12)10(9)14-16(4,5)6/h1-6H3.
What are the key properties of 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione?
3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione has a molecular weight of 258.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trimethylsilyloxy)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 553390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).