CID 22111937

C11H21O3Si — CID 22111937

IUPAC—
SMILESCCCCCC(=O)C([Si])(OCC)OCC
InChIInChI=1S/C11H21O3Si/c1-4-7-8-9-10(12)11(15,13-5-2)14-6-3/h4-9H2,1-3H3
InChIKeyRATAWRBYDJAHIV-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.03
Rot. Bonds9

About CID 22111937

CID 22111937 (PubChem CID 22111937) has the molecular formula C11H21O3Si and a molecular weight of 229.37 g/mol.

Molecular Properties

Compound NameCID 22111937
PubChem CID22111937
Molecular FormulaC11H21O3Si
Molecular Weight229.37 g/mol
Exact Mass229.13
IUPAC Name—
SMILESCCCCCC(=O)C([Si])(OCC)OCC
InChIInChI=1S/C11H21O3Si/c1-4-7-8-9-10(12)11(15,13-5-2)14-6-3/h4-9H2,1-3H3
InChIKeyRATAWRBYDJAHIV-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22111937?
The IUPAC name of CID 22111937 (CID 22111937) is not available.
What is the SMILES notation for CID 22111937?
The canonical SMILES for CID 22111937 is CCCCCC(=O)C([Si])(OCC)OCC.
What is the InChIKey of CID 22111937?
The InChIKey is RATAWRBYDJAHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3Si/c1-4-7-8-9-10(12)11(15,13-5-2)14-6-3/h4-9H2,1-3H3.
What are the key properties of CID 22111937?
CID 22111937 has a molecular weight of 229.37 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22111937 is sourced from PubChem (CID 22111937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).