CID 67453842

C8H8OSi — CID 67453842

IUPAC—
SMILESC=C[Si]c1ccccc1O
InChIInChI=1S/C8H8OSi/c1-2-10-8-6-4-3-5-7(8)9/h2-6,9H,1H2
InChIKeyCIWNBDRKTQYBCX-UHFFFAOYSA-N
MW148.24 g/mol
LogP0.87
Rot. Bonds2

About CID 67453842

CID 67453842 (PubChem CID 67453842) has the molecular formula C8H8OSi and a molecular weight of 148.24 g/mol.

Molecular Properties

Compound NameCID 67453842
PubChem CID67453842
Molecular FormulaC8H8OSi
Molecular Weight148.24 g/mol
Exact Mass148.03
IUPAC Name—
SMILESC=C[Si]c1ccccc1O
InChIInChI=1S/C8H8OSi/c1-2-10-8-6-4-3-5-7(8)9/h2-6,9H,1H2
InChIKeyCIWNBDRKTQYBCX-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 67453842?
The IUPAC name of CID 67453842 (CID 67453842) is not available.
What is the SMILES notation for CID 67453842?
The canonical SMILES for CID 67453842 is C=C[Si]c1ccccc1O.
What is the InChIKey of CID 67453842?
The InChIKey is CIWNBDRKTQYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OSi/c1-2-10-8-6-4-3-5-7(8)9/h2-6,9H,1H2.
What are the key properties of CID 67453842?
CID 67453842 has a molecular weight of 148.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67453842 is sourced from PubChem (CID 67453842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).