CID 176885463

C19H24NO2Si — CID 176885463

IUPAC—
SMILESC=C(c1ccccc1)c1ccc([Si](OC)OCCN(C)C)cc1
InChIInChI=1S/C19H24NO2Si/c1-16(17-8-6-5-7-9-17)18-10-12-19(13-11-18)23(21-4)22-15-14-20(2)3/h5-13H,1,14-15H2,2-4H3
InChIKeyPBRIBYJNQAYZCZ-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.67
Rot. Bonds8

About CID 176885463

CID 176885463 (PubChem CID 176885463) has the molecular formula C19H24NO2Si and a molecular weight of 326.49 g/mol.

Molecular Properties

Compound NameCID 176885463
PubChem CID176885463
Molecular FormulaC19H24NO2Si
Molecular Weight326.49 g/mol
Exact Mass326.16
IUPAC Name—
SMILESC=C(c1ccccc1)c1ccc([Si](OC)OCCN(C)C)cc1
InChIInChI=1S/C19H24NO2Si/c1-16(17-8-6-5-7-9-17)18-10-12-19(13-11-18)23(21-4)22-15-14-20(2)3/h5-13H,1,14-15H2,2-4H3
InChIKeyPBRIBYJNQAYZCZ-UHFFFAOYSA-N
XLogP2.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.67
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 176885463?
The IUPAC name of CID 176885463 (CID 176885463) is not available.
What is the SMILES notation for CID 176885463?
The canonical SMILES for CID 176885463 is C=C(c1ccccc1)c1ccc([Si](OC)OCCN(C)C)cc1.
What is the InChIKey of CID 176885463?
The InChIKey is PBRIBYJNQAYZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO2Si/c1-16(17-8-6-5-7-9-17)18-10-12-19(13-11-18)23(21-4)22-15-14-20(2)3/h5-13H,1,14-15H2,2-4H3.
What are the key properties of CID 176885463?
CID 176885463 has a molecular weight of 326.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176885463 is sourced from PubChem (CID 176885463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).