CID 54341332

C9H11O3Si — CID 54341332

IUPAC—
SMILESCOc1ccc([Si])c(OC)c1OC
InChIInChI=1S/C9H11O3Si/c1-10-6-4-5-7(13)9(12-3)8(6)11-2/h4-5H,1-3H3
InChIKeyYSFOSCLPYMYNKF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.51
Rot. Bonds3

About CID 54341332

CID 54341332 (PubChem CID 54341332) has the molecular formula C9H11O3Si and a molecular weight of 195.27 g/mol.

Molecular Properties

Compound NameCID 54341332
PubChem CID54341332
Molecular FormulaC9H11O3Si
Molecular Weight195.27 g/mol
Exact Mass195.05
IUPAC Name—
SMILESCOc1ccc([Si])c(OC)c1OC
InChIInChI=1S/C9H11O3Si/c1-10-6-4-5-7(13)9(12-3)8(6)11-2/h4-5H,1-3H3
InChIKeyYSFOSCLPYMYNKF-UHFFFAOYSA-N
XLogP0.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54341332?
The IUPAC name of CID 54341332 (CID 54341332) is not available.
What is the SMILES notation for CID 54341332?
The canonical SMILES for CID 54341332 is COc1ccc([Si])c(OC)c1OC.
What is the InChIKey of CID 54341332?
The InChIKey is YSFOSCLPYMYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3Si/c1-10-6-4-5-7(13)9(12-3)8(6)11-2/h4-5H,1-3H3.
What are the key properties of CID 54341332?
CID 54341332 has a molecular weight of 195.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54341332 is sourced from PubChem (CID 54341332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).