CID 166438780

C15H15O2Si — CID 166438780

IUPAC—
SMILESCOC(=O)c1ccc([Si](C)c2ccccc2)cc1
InChIInChI=1S/C15H15O2Si/c1-17-15(16)12-8-10-14(11-9-12)18(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyFONCCOZDJRIIIA-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.71
Rot. Bonds3

About CID 166438780

CID 166438780 (PubChem CID 166438780) has the molecular formula C15H15O2Si and a molecular weight of 255.37 g/mol.

Molecular Properties

Compound NameCID 166438780
PubChem CID166438780
Molecular FormulaC15H15O2Si
Molecular Weight255.37 g/mol
Exact Mass255.08
IUPAC Name—
SMILESCOC(=O)c1ccc([Si](C)c2ccccc2)cc1
InChIInChI=1S/C15H15O2Si/c1-17-15(16)12-8-10-14(11-9-12)18(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyFONCCOZDJRIIIA-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 160948347
CID 67391169
CID 67391169
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Frequently Asked Questions

What is the IUPAC name of CID 166438780?
The IUPAC name of CID 166438780 (CID 166438780) is not available.
What is the SMILES notation for CID 166438780?
The canonical SMILES for CID 166438780 is COC(=O)c1ccc([Si](C)c2ccccc2)cc1.
What is the InChIKey of CID 166438780?
The InChIKey is FONCCOZDJRIIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2Si/c1-17-15(16)12-8-10-14(11-9-12)18(2)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of CID 166438780?
CID 166438780 has a molecular weight of 255.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166438780 is sourced from PubChem (CID 166438780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).