CID 162696892

C18H38N2O3Si — CID 162696892

IUPAC
SMILESCCOC(OCC)[Si]CCCNC1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C18H38N2O3Si/c1-8-22-16(23-9-2)24-12-10-11-19-15-13-17(3,4)20(21-7)18(5,6)14-15/h15-16,19H,8-14H2,1-7H3
InChIKeyWLSKNCRHUAMJLN-UHFFFAOYSA-N
MW358.60 g/mol
LogP3.03
Rot. Bonds11

About CID 162696892

CID 162696892 (PubChem CID 162696892) has the molecular formula C18H38N2O3Si and a molecular weight of 358.60 g/mol.

Molecular Properties

Compound NameCID 162696892
PubChem CID162696892
Molecular FormulaC18H38N2O3Si
Molecular Weight358.60 g/mol
Exact Mass358.27
IUPAC Name
SMILESCCOC(OCC)[Si]CCCNC1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C18H38N2O3Si/c1-8-22-16(23-9-2)24-12-10-11-19-15-13-17(3,4)20(21-7)18(5,6)14-15/h15-16,19H,8-14H2,1-7H3
InChIKeyWLSKNCRHUAMJLN-UHFFFAOYSA-N
XLogP3.03
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of CID 162696892?
The IUPAC name of CID 162696892 (CID 162696892) is not available.
What is the SMILES notation for CID 162696892?
The canonical SMILES for CID 162696892 is CCOC(OCC)[Si]CCCNC1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of CID 162696892?
The InChIKey is WLSKNCRHUAMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O3Si/c1-8-22-16(23-9-2)24-12-10-11-19-15-13-17(3,4)20(21-7)18(5,6)14-15/h15-16,19H,8-14H2,1-7H3.
What are the key properties of CID 162696892?
CID 162696892 has a molecular weight of 358.60 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162696892 is sourced from PubChem (CID 162696892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).