CID 68659972

C13H12OSi2 — CID 68659972

IUPAC—
SMILESCc1ccc(-c2ccccc2[Si](O)[Si])cc1
InChIInChI=1S/C13H12OSi2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)16(14)15/h2-9,14H,1H3
InChIKeySIOGYMDAIGSYQL-UHFFFAOYSA-N
MW240.41 g/mol
LogP1.52
Rot. Bonds2

About CID 68659972

CID 68659972 (PubChem CID 68659972) has the molecular formula C13H12OSi2 and a molecular weight of 240.41 g/mol.

Molecular Properties

Compound NameCID 68659972
PubChem CID68659972
Molecular FormulaC13H12OSi2
Molecular Weight240.41 g/mol
Exact Mass240.04
IUPAC Name—
SMILESCc1ccc(-c2ccccc2[Si](O)[Si])cc1
InChIInChI=1S/C13H12OSi2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)16(14)15/h2-9,14H,1H3
InChIKeySIOGYMDAIGSYQL-UHFFFAOYSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 51.52
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 68659972?
The IUPAC name of CID 68659972 (CID 68659972) is not available.
What is the SMILES notation for CID 68659972?
The canonical SMILES for CID 68659972 is Cc1ccc(-c2ccccc2[Si](O)[Si])cc1.
What is the InChIKey of CID 68659972?
The InChIKey is SIOGYMDAIGSYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OSi2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)16(14)15/h2-9,14H,1H3.
What are the key properties of CID 68659972?
CID 68659972 has a molecular weight of 240.41 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68659972 is sourced from PubChem (CID 68659972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).