CID 162696881

C18H38N2O2Si — CID 162696881

IUPAC—
SMILESCCOC(OCC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C18H38N2O2Si/c1-8-21-16(22-9-2)23-12-10-11-19-15-13-17(3,4)20(7)18(5,6)14-15/h15-16,19H,8-14H2,1-7H3
InChIKeyROQHQPZBKLVSQH-UHFFFAOYSA-N
MW342.60 g/mol
LogP3.10
Rot. Bonds10

About CID 162696881

CID 162696881 (PubChem CID 162696881) has the molecular formula C18H38N2O2Si and a molecular weight of 342.60 g/mol.

Molecular Properties

Compound NameCID 162696881
PubChem CID162696881
Molecular FormulaC18H38N2O2Si
Molecular Weight342.60 g/mol
Exact Mass342.27
IUPAC Name—
SMILESCCOC(OCC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C18H38N2O2Si/c1-8-21-16(22-9-2)23-12-10-11-19-15-13-17(3,4)20(7)18(5,6)14-15/h15-16,19H,8-14H2,1-7H3
InChIKeyROQHQPZBKLVSQH-UHFFFAOYSA-N
XLogP3.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 162696881 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 162696881?
The IUPAC name of CID 162696881 (CID 162696881) is not available.
What is the SMILES notation for CID 162696881?
The canonical SMILES for CID 162696881 is CCOC(OCC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of CID 162696881?
The InChIKey is ROQHQPZBKLVSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2Si/c1-8-21-16(22-9-2)23-12-10-11-19-15-13-17(3,4)20(7)18(5,6)14-15/h15-16,19H,8-14H2,1-7H3.
What are the key properties of CID 162696881?
CID 162696881 has a molecular weight of 342.60 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162696881 is sourced from PubChem (CID 162696881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).