CID 176885467

C22H28N2OSi — CID 176885467

IUPAC—
SMILESC=C(c1ccccc1)c1ccc([Si]COCCN2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N2OSi/c1-19(20-6-4-3-5-7-20)21-8-10-22(11-9-21)26-18-25-17-16-24-14-12-23(2)13-15-24/h3-11H,1,12-18H2,2H3
InChIKeyYWDUMYOWHKPHHY-UHFFFAOYSA-N
MW364.57 g/mol
LogP2.30
Rot. Bonds8

About CID 176885467

CID 176885467 (PubChem CID 176885467) has the molecular formula C22H28N2OSi and a molecular weight of 364.57 g/mol.

Molecular Properties

Compound NameCID 176885467
PubChem CID176885467
Molecular FormulaC22H28N2OSi
Molecular Weight364.57 g/mol
Exact Mass364.20
IUPAC Name—
SMILESC=C(c1ccccc1)c1ccc([Si]COCCN2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N2OSi/c1-19(20-6-4-3-5-7-20)21-8-10-22(11-9-21)26-18-25-17-16-24-14-12-23(2)13-15-24/h3-11H,1,12-18H2,2H3
InChIKeyYWDUMYOWHKPHHY-UHFFFAOYSA-N
XLogP2.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176885467?
The IUPAC name of CID 176885467 (CID 176885467) is not available.
What is the SMILES notation for CID 176885467?
The canonical SMILES for CID 176885467 is C=C(c1ccccc1)c1ccc([Si]COCCN2CCN(C)CC2)cc1.
What is the InChIKey of CID 176885467?
The InChIKey is YWDUMYOWHKPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OSi/c1-19(20-6-4-3-5-7-20)21-8-10-22(11-9-21)26-18-25-17-16-24-14-12-23(2)13-15-24/h3-11H,1,12-18H2,2H3.
What are the key properties of CID 176885467?
CID 176885467 has a molecular weight of 364.57 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176885467 is sourced from PubChem (CID 176885467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).