4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one

C7H12O4Si — CID 140573033

IUPAC4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one
SMILESC[Si](C)(C)OCC=C1OC(=O)O1
InChIInChI=1S/C7H12O4Si/c1-12(2,3)9-5-4-6-10-7(8)11-6/h4H,5H2,1-3H3
InChIKeySCUPNWBDFIZLOX-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.85
Rot. Bonds3

About 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one

4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one (PubChem CID 140573033) has the molecular formula C7H12O4Si and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one.

Molecular Properties

Compound Name4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one
PubChem CID140573033
Molecular FormulaC7H12O4Si
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one
SMILESC[Si](C)(C)OCC=C1OC(=O)O1
InChIInChI=1S/C7H12O4Si/c1-12(2,3)9-5-4-6-10-7(8)11-6/h4H,5H2,1-3H3
InChIKeySCUPNWBDFIZLOX-UHFFFAOYSA-N
XLogP1.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one?
The IUPAC name of 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one (CID 140573033) is 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one.
What is the SMILES notation for 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one?
The canonical SMILES for 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one is C[Si](C)(C)OCC=C1OC(=O)O1.
What is the InChIKey of 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one?
The InChIKey is SCUPNWBDFIZLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4Si/c1-12(2,3)9-5-4-6-10-7(8)11-6/h4H,5H2,1-3H3.
What are the key properties of 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one?
4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one has a molecular weight of 188.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilyloxyethylidene)-1,3-dioxetan-2-one is sourced from PubChem (CID 140573033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).