3-methyl-4-trimethylsilylcyclobutane-1,2-dione

C8H14O2Si — CID 57000131

IUPAC3-methyl-4-trimethylsilylcyclobutane-1,2-dione
SMILESCC1C(=O)C(=O)C1[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-5-6(9)7(10)8(5)11(2,3)4/h5,8H,1-4H3
InChIKeyXHRTZIVXHRDNOL-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.48
Rot. Bonds1

About 3-methyl-4-trimethylsilylcyclobutane-1,2-dione

3-methyl-4-trimethylsilylcyclobutane-1,2-dione (PubChem CID 57000131) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-methyl-4-trimethylsilylcyclobutane-1,2-dione.

Molecular Properties

Compound Name3-methyl-4-trimethylsilylcyclobutane-1,2-dione
PubChem CID57000131
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-methyl-4-trimethylsilylcyclobutane-1,2-dione
SMILESCC1C(=O)C(=O)C1[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-5-6(9)7(10)8(5)11(2,3)4/h5,8H,1-4H3
InChIKeyXHRTZIVXHRDNOL-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-methyl-4-trimethylsilylcyclobutane-1,2-dione?
The IUPAC name of 3-methyl-4-trimethylsilylcyclobutane-1,2-dione (CID 57000131) is 3-methyl-4-trimethylsilylcyclobutane-1,2-dione.
What is the SMILES notation for 3-methyl-4-trimethylsilylcyclobutane-1,2-dione?
The canonical SMILES for 3-methyl-4-trimethylsilylcyclobutane-1,2-dione is CC1C(=O)C(=O)C1[Si](C)(C)C.
What is the InChIKey of 3-methyl-4-trimethylsilylcyclobutane-1,2-dione?
The InChIKey is XHRTZIVXHRDNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-5-6(9)7(10)8(5)11(2,3)4/h5,8H,1-4H3.
What are the key properties of 3-methyl-4-trimethylsilylcyclobutane-1,2-dione?
3-methyl-4-trimethylsilylcyclobutane-1,2-dione has a molecular weight of 170.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-trimethylsilylcyclobutane-1,2-dione is sourced from PubChem (CID 57000131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).