CID 19784071

C8H5O2Si — CID 19784071

IUPAC—
SMILESO=Cc1cccc([Si])c1C=O
InChIInChI=1S/C8H5O2Si/c9-4-6-2-1-3-8(11)7(6)5-10/h1-5H
InChIKeyXSOSDKRBMGCWKL-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.11
Rot. Bonds2

About CID 19784071

CID 19784071 (PubChem CID 19784071) has the molecular formula C8H5O2Si and a molecular weight of 161.21 g/mol.

Molecular Properties

Compound NameCID 19784071
PubChem CID19784071
Molecular FormulaC8H5O2Si
Molecular Weight161.21 g/mol
Exact Mass161.01
IUPAC Name—
SMILESO=Cc1cccc([Si])c1C=O
InChIInChI=1S/C8H5O2Si/c9-4-6-2-1-3-8(11)7(6)5-10/h1-5H
InChIKeyXSOSDKRBMGCWKL-UHFFFAOYSA-N
XLogP0.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19784071?
The IUPAC name of CID 19784071 (CID 19784071) is not available.
What is the SMILES notation for CID 19784071?
The canonical SMILES for CID 19784071 is O=Cc1cccc([Si])c1C=O.
What is the InChIKey of CID 19784071?
The InChIKey is XSOSDKRBMGCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O2Si/c9-4-6-2-1-3-8(11)7(6)5-10/h1-5H.
What are the key properties of CID 19784071?
CID 19784071 has a molecular weight of 161.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19784071 is sourced from PubChem (CID 19784071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).