CID 134956776

C21H19O2Si — CID 134956776

IUPAC—
SMILESO=C(C[Si](c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H19O2Si/c22-21(23-16-18-10-4-1-5-11-18)17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyCGPHHBWWFDFZNK-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.04
Rot. Bonds6

About CID 134956776

CID 134956776 (PubChem CID 134956776) has the molecular formula C21H19O2Si and a molecular weight of 331.47 g/mol.

Molecular Properties

Compound NameCID 134956776
PubChem CID134956776
Molecular FormulaC21H19O2Si
Molecular Weight331.47 g/mol
Exact Mass331.12
IUPAC Name—
SMILESO=C(C[Si](c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H19O2Si/c22-21(23-16-18-10-4-1-5-11-18)17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyCGPHHBWWFDFZNK-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.04
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 90178451
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Frequently Asked Questions

What is the IUPAC name of CID 134956776?
The IUPAC name of CID 134956776 (CID 134956776) is not available.
What is the SMILES notation for CID 134956776?
The canonical SMILES for CID 134956776 is O=C(C[Si](c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of CID 134956776?
The InChIKey is CGPHHBWWFDFZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2Si/c22-21(23-16-18-10-4-1-5-11-18)17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of CID 134956776?
CID 134956776 has a molecular weight of 331.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134956776 is sourced from PubChem (CID 134956776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).