CID 67417539

C20H18OSi — CID 67417539

IUPAC—
SMILESC[Si]OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18OSi/c1-22-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyQYCPMSBDKITTMI-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.66
Rot. Bonds5

About CID 67417539

CID 67417539 (PubChem CID 67417539) has the molecular formula C20H18OSi and a molecular weight of 302.45 g/mol.

Molecular Properties

Compound NameCID 67417539
PubChem CID67417539
Molecular FormulaC20H18OSi
Molecular Weight302.45 g/mol
Exact Mass302.11
IUPAC Name—
SMILESC[Si]OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18OSi/c1-22-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyQYCPMSBDKITTMI-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67417539?
The IUPAC name of CID 67417539 (CID 67417539) is not available.
What is the SMILES notation for CID 67417539?
The canonical SMILES for CID 67417539 is C[Si]OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 67417539?
The InChIKey is QYCPMSBDKITTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OSi/c1-22-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3.
What are the key properties of CID 67417539?
CID 67417539 has a molecular weight of 302.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67417539 is sourced from PubChem (CID 67417539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).