CID 68659588

C20H27O2Si — CID 68659588

IUPAC—
SMILESCCCO[Si](OCCC)c1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C20H27O2Si/c1-5-12-21-23(22-13-6-2)20-16(3)14-19(15-17(20)4)18-10-8-7-9-11-18/h7-11,14-15H,5-6,12-13H2,1-4H3
InChIKeyQPOAYJUUTCVKPD-UHFFFAOYSA-N
MW327.52 g/mol
LogP4.52
Rot. Bonds8

About CID 68659588

CID 68659588 (PubChem CID 68659588) has the molecular formula C20H27O2Si and a molecular weight of 327.52 g/mol.

Molecular Properties

Compound NameCID 68659588
PubChem CID68659588
Molecular FormulaC20H27O2Si
Molecular Weight327.52 g/mol
Exact Mass327.18
IUPAC Name—
SMILESCCCO[Si](OCCC)c1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C20H27O2Si/c1-5-12-21-23(22-13-6-2)20-16(3)14-19(15-17(20)4)18-10-8-7-9-11-18/h7-11,14-15H,5-6,12-13H2,1-4H3
InChIKeyQPOAYJUUTCVKPD-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 68659588 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 68659588?
The IUPAC name of CID 68659588 (CID 68659588) is not available.
What is the SMILES notation for CID 68659588?
The canonical SMILES for CID 68659588 is CCCO[Si](OCCC)c1c(C)cc(-c2ccccc2)cc1C.
What is the InChIKey of CID 68659588?
The InChIKey is QPOAYJUUTCVKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O2Si/c1-5-12-21-23(22-13-6-2)20-16(3)14-19(15-17(20)4)18-10-8-7-9-11-18/h7-11,14-15H,5-6,12-13H2,1-4H3.
What are the key properties of CID 68659588?
CID 68659588 has a molecular weight of 327.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68659588 is sourced from PubChem (CID 68659588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).