dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium

C7H13O2Si+ — CID 20672826

IUPACdimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium
SMILESC[SiH2+](C)OC1C=CC(=O)C1
InChIInChI=1S/C7H13O2Si/c1-10(2)9-7-4-3-6(8)5-7/h3-4,7H,5,10H2,1-2H3/q+1
InChIKeyXPBSOQACDYCBEV-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.62
Rot. Bonds2

About dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium

dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium (PubChem CID 20672826) has the molecular formula C7H13O2Si+ and a molecular weight of 157.26 g/mol. Its IUPAC name is dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium.

Molecular Properties

Compound Namedimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium
PubChem CID20672826
Molecular FormulaC7H13O2Si+
Molecular Weight157.26 g/mol
Exact Mass157.07
IUPAC Namedimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium
SMILESC[SiH2+](C)OC1C=CC(=O)C1
InChIInChI=1S/C7H13O2Si/c1-10(2)9-7-4-3-6(8)5-7/h3-4,7H,5,10H2,1-2H3/q+1
InChIKeyXPBSOQACDYCBEV-UHFFFAOYSA-N
XLogP0.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium?
The IUPAC name of dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium (CID 20672826) is dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium.
What is the SMILES notation for dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium?
The canonical SMILES for dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium is C[SiH2+](C)OC1C=CC(=O)C1.
What is the InChIKey of dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium?
The InChIKey is XPBSOQACDYCBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2Si/c1-10(2)9-7-4-3-6(8)5-7/h3-4,7H,5,10H2,1-2H3/q+1.
What are the key properties of dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium?
dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium has a molecular weight of 157.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium is sourced from PubChem (CID 20672826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).