CID 162696895

C20H42N2O3Si — CID 162696895

IUPAC—
SMILESCCOC(OCC)(OCC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C20H42N2O3Si/c1-9-23-20(24-10-2,25-11-3)26-14-12-13-21-17-15-18(4,5)22(8)19(6,7)16-17/h17,21H,9-16H2,1-8H3
InChIKeyOBJZONASWHUXEF-UHFFFAOYSA-N
MW386.65 g/mol
LogP3.46
Rot. Bonds12

About CID 162696895

CID 162696895 (PubChem CID 162696895) has the molecular formula C20H42N2O3Si and a molecular weight of 386.65 g/mol.

Molecular Properties

Compound NameCID 162696895
PubChem CID162696895
Molecular FormulaC20H42N2O3Si
Molecular Weight386.65 g/mol
Exact Mass386.30
IUPAC Name—
SMILESCCOC(OCC)(OCC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C20H42N2O3Si/c1-9-23-20(24-10-2,25-11-3)26-14-12-13-21-17-15-18(4,5)22(8)19(6,7)16-17/h17,21H,9-16H2,1-8H3
InChIKeyOBJZONASWHUXEF-UHFFFAOYSA-N
XLogP3.46
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 53.46
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 162696895?
The IUPAC name of CID 162696895 (CID 162696895) is not available.
What is the SMILES notation for CID 162696895?
The canonical SMILES for CID 162696895 is CCOC(OCC)(OCC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of CID 162696895?
The InChIKey is OBJZONASWHUXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O3Si/c1-9-23-20(24-10-2,25-11-3)26-14-12-13-21-17-15-18(4,5)22(8)19(6,7)16-17/h17,21H,9-16H2,1-8H3.
What are the key properties of CID 162696895?
CID 162696895 has a molecular weight of 386.65 g/mol, XLogP of 3.46, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162696895 is sourced from PubChem (CID 162696895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).