CID 58300819

C9H22O2SSi+ — CID 58300819

IUPAC—
SMILESCC[S+](CC)CCC[Si](OC)OC
InChIInChI=1S/C9H22O2SSi/c1-5-12(6-2)8-7-9-13(10-3)11-4/h5-9H2,1-4H3/q+1
InChIKeyONHWCHMQFVKLSL-UHFFFAOYSA-N
MW222.43 g/mol
LogP1.82
Rot. Bonds8

About CID 58300819

CID 58300819 (PubChem CID 58300819) has the molecular formula C9H22O2SSi+ and a molecular weight of 222.43 g/mol.

Molecular Properties

Compound NameCID 58300819
PubChem CID58300819
Molecular FormulaC9H22O2SSi+
Molecular Weight222.43 g/mol
Exact Mass222.11
IUPAC Name—
SMILESCC[S+](CC)CCC[Si](OC)OC
InChIInChI=1S/C9H22O2SSi/c1-5-12(6-2)8-7-9-13(10-3)11-4/h5-9H2,1-4H3/q+1
InChIKeyONHWCHMQFVKLSL-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58300819?
The IUPAC name of CID 58300819 (CID 58300819) is not available.
What is the SMILES notation for CID 58300819?
The canonical SMILES for CID 58300819 is CC[S+](CC)CCC[Si](OC)OC.
What is the InChIKey of CID 58300819?
The InChIKey is ONHWCHMQFVKLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O2SSi/c1-5-12(6-2)8-7-9-13(10-3)11-4/h5-9H2,1-4H3/q+1.
What are the key properties of CID 58300819?
CID 58300819 has a molecular weight of 222.43 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58300819 is sourced from PubChem (CID 58300819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).