CID 69026605

C14H16N2OSi — CID 69026605

IUPAC—
SMILESCC(C)(C)O[Si]c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H16N2OSi/c1-14(2,3)17-18-11-7-8-13(16-10-11)12-6-4-5-9-15-12/h4-10H,1-3H3
InChIKeyZBSASTVNNURIKK-UHFFFAOYSA-N
MW256.38 g/mol
LogP2.20
Rot. Bonds3

About CID 69026605

CID 69026605 (PubChem CID 69026605) has the molecular formula C14H16N2OSi and a molecular weight of 256.38 g/mol.

Molecular Properties

Compound NameCID 69026605
PubChem CID69026605
Molecular FormulaC14H16N2OSi
Molecular Weight256.38 g/mol
Exact Mass256.10
IUPAC Name—
SMILESCC(C)(C)O[Si]c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H16N2OSi/c1-14(2,3)17-18-11-7-8-13(16-10-11)12-6-4-5-9-15-12/h4-10H,1-3H3
InChIKeyZBSASTVNNURIKK-UHFFFAOYSA-N
XLogP2.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 69026605?
The IUPAC name of CID 69026605 (CID 69026605) is not available.
What is the SMILES notation for CID 69026605?
The canonical SMILES for CID 69026605 is CC(C)(C)O[Si]c1ccc(-c2ccccn2)nc1.
What is the InChIKey of CID 69026605?
The InChIKey is ZBSASTVNNURIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OSi/c1-14(2,3)17-18-11-7-8-13(16-10-11)12-6-4-5-9-15-12/h4-10H,1-3H3.
What are the key properties of CID 69026605?
CID 69026605 has a molecular weight of 256.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69026605 is sourced from PubChem (CID 69026605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).