CID 155667695

C25H28NOSi — CID 155667695

IUPAC—
SMILESCc1cc(N2CCOCC2)ccc1[C@@H](C)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOSi/c1-20-19-22(26-15-17-27-18-16-26)13-14-25(20)21(2)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,21H,15-18H2,1-2H3/t21-/m1/s1
InChIKeyVZWFGJVINVPXSS-OAQYLSRUSA-N
MW386.59 g/mol
LogP3.78
Rot. Bonds5

About CID 155667695

CID 155667695 (PubChem CID 155667695) has the molecular formula C25H28NOSi and a molecular weight of 386.59 g/mol.

Molecular Properties

Compound NameCID 155667695
PubChem CID155667695
Molecular FormulaC25H28NOSi
Molecular Weight386.59 g/mol
Exact Mass386.19
IUPAC Name—
SMILESCc1cc(N2CCOCC2)ccc1[C@@H](C)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOSi/c1-20-19-22(26-15-17-27-18-16-26)13-14-25(20)21(2)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,21H,15-18H2,1-2H3/t21-/m1/s1
InChIKeyVZWFGJVINVPXSS-OAQYLSRUSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155667695?
The IUPAC name of CID 155667695 (CID 155667695) is not available.
What is the SMILES notation for CID 155667695?
The canonical SMILES for CID 155667695 is Cc1cc(N2CCOCC2)ccc1[C@@H](C)[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 155667695?
The InChIKey is VZWFGJVINVPXSS-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28NOSi/c1-20-19-22(26-15-17-27-18-16-26)13-14-25(20)21(2)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,21H,15-18H2,1-2H3/t21-/m1/s1.
What are the key properties of CID 155667695?
CID 155667695 has a molecular weight of 386.59 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155667695 is sourced from PubChem (CID 155667695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).