CID 162696906

C17H36N2O3Si — CID 162696906

IUPAC—
SMILESCCON1C(C)(C)CC(NCCC[Si]C(OC)OC)CC1(C)C
InChIInChI=1S/C17H36N2O3Si/c1-8-22-19-16(2,3)12-14(13-17(19,4)5)18-10-9-11-23-15(20-6)21-7/h14-15,18H,8-13H2,1-7H3
InChIKeyCEIPJHICBJEQIB-UHFFFAOYSA-N
MW344.57 g/mol
LogP2.64
Rot. Bonds10

About CID 162696906

CID 162696906 (PubChem CID 162696906) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol.

Molecular Properties

Compound NameCID 162696906
PubChem CID162696906
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name—
SMILESCCON1C(C)(C)CC(NCCC[Si]C(OC)OC)CC1(C)C
InChIInChI=1S/C17H36N2O3Si/c1-8-22-19-16(2,3)12-14(13-17(19,4)5)18-10-9-11-23-15(20-6)21-7/h14-15,18H,8-13H2,1-7H3
InChIKeyCEIPJHICBJEQIB-UHFFFAOYSA-N
XLogP2.64
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 52.64
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'}

Analyze CID 162696906 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 162696906?
The IUPAC name of CID 162696906 (CID 162696906) is not available.
What is the SMILES notation for CID 162696906?
The canonical SMILES for CID 162696906 is CCON1C(C)(C)CC(NCCC[Si]C(OC)OC)CC1(C)C.
What is the InChIKey of CID 162696906?
The InChIKey is CEIPJHICBJEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-8-22-19-16(2,3)12-14(13-17(19,4)5)18-10-9-11-23-15(20-6)21-7/h14-15,18H,8-13H2,1-7H3.
What are the key properties of CID 162696906?
CID 162696906 has a molecular weight of 344.57 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162696906 is sourced from PubChem (CID 162696906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).