CID 22967183

C11H23O3SSi — CID 22967183

IUPAC—
SMILESC=CCC[Si](C)C(CC(C)C)OS(C)(=O)=O
InChIInChI=1S/C11H23O3SSi/c1-6-7-8-16(5)11(9-10(2)3)14-15(4,12)13/h6,10-11H,1,7-9H2,2-5H3
InChIKeyKBWHSZDICHFHMV-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.62
Rot. Bonds8

About CID 22967183

CID 22967183 (PubChem CID 22967183) has the molecular formula C11H23O3SSi and a molecular weight of 263.45 g/mol.

Molecular Properties

Compound NameCID 22967183
PubChem CID22967183
Molecular FormulaC11H23O3SSi
Molecular Weight263.45 g/mol
Exact Mass263.11
IUPAC Name—
SMILESC=CCC[Si](C)C(CC(C)C)OS(C)(=O)=O
InChIInChI=1S/C11H23O3SSi/c1-6-7-8-16(5)11(9-10(2)3)14-15(4,12)13/h6,10-11H,1,7-9H2,2-5H3
InChIKeyKBWHSZDICHFHMV-UHFFFAOYSA-N
XLogP2.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22967183?
The IUPAC name of CID 22967183 (CID 22967183) is not available.
What is the SMILES notation for CID 22967183?
The canonical SMILES for CID 22967183 is C=CCC[Si](C)C(CC(C)C)OS(C)(=O)=O.
What is the InChIKey of CID 22967183?
The InChIKey is KBWHSZDICHFHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3SSi/c1-6-7-8-16(5)11(9-10(2)3)14-15(4,12)13/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of CID 22967183?
CID 22967183 has a molecular weight of 263.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22967183 is sourced from PubChem (CID 22967183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).