CID 68585282

C28H28O5Si2 — CID 68585282

IUPAC—
SMILESCOc1ccc(OC)c([Si](O[Si](c2ccccc2)c2cc(OC)ccc2OC)c2ccccc2)c1
InChIInChI=1S/C28H28O5Si2/c1-29-21-15-17-25(31-3)27(19-21)34(23-11-7-5-8-12-23)33-35(24-13-9-6-10-14-24)28-20-22(30-2)16-18-26(28)32-4/h5-20H,1-4H3
InChIKeyABKVAVJPJDUFHE-UHFFFAOYSA-N
MW500.70 g/mol
LogP2.65
Rot. Bonds10

About CID 68585282

CID 68585282 (PubChem CID 68585282) has the molecular formula C28H28O5Si2 and a molecular weight of 500.70 g/mol.

Molecular Properties

Compound NameCID 68585282
PubChem CID68585282
Molecular FormulaC28H28O5Si2
Molecular Weight500.70 g/mol
Exact Mass500.15
IUPAC Name—
SMILESCOc1ccc(OC)c([Si](O[Si](c2ccccc2)c2cc(OC)ccc2OC)c2ccccc2)c1
InChIInChI=1S/C28H28O5Si2/c1-29-21-15-17-25(31-3)27(19-21)34(23-11-7-5-8-12-23)33-35(24-13-9-6-10-14-24)28-20-22(30-2)16-18-26(28)32-4/h5-20H,1-4H3
InChIKeyABKVAVJPJDUFHE-UHFFFAOYSA-N
XLogP2.65
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 68585282 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 68585282?
The IUPAC name of CID 68585282 (CID 68585282) is not available.
What is the SMILES notation for CID 68585282?
The canonical SMILES for CID 68585282 is COc1ccc(OC)c([Si](O[Si](c2ccccc2)c2cc(OC)ccc2OC)c2ccccc2)c1.
What is the InChIKey of CID 68585282?
The InChIKey is ABKVAVJPJDUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O5Si2/c1-29-21-15-17-25(31-3)27(19-21)34(23-11-7-5-8-12-23)33-35(24-13-9-6-10-14-24)28-20-22(30-2)16-18-26(28)32-4/h5-20H,1-4H3.
What are the key properties of CID 68585282?
CID 68585282 has a molecular weight of 500.70 g/mol, XLogP of 2.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68585282 is sourced from PubChem (CID 68585282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).