CID 54031697

C6H15NOSi — CID 54031697

IUPAC
SMILESCO[Si]CCCN(C)C
InChIInChI=1S/C6H15NOSi/c1-7(2)5-4-6-9-8-3/h4-6H2,1-3H3
InChIKeyIFXKFDRSXTUAMK-UHFFFAOYSA-N
MW145.28 g/mol
LogP0.62
Rot. Bonds5

About CID 54031697

CID 54031697 (PubChem CID 54031697) has the molecular formula C6H15NOSi and a molecular weight of 145.28 g/mol.

Molecular Properties

Compound NameCID 54031697
PubChem CID54031697
Molecular FormulaC6H15NOSi
Molecular Weight145.28 g/mol
Exact Mass145.09
IUPAC Name
SMILESCO[Si]CCCN(C)C
InChIInChI=1S/C6H15NOSi/c1-7(2)5-4-6-9-8-3/h4-6H2,1-3H3
InChIKeyIFXKFDRSXTUAMK-UHFFFAOYSA-N
XLogP0.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 54031697 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 54031697?
The IUPAC name of CID 54031697 (CID 54031697) is not available.
What is the SMILES notation for CID 54031697?
The canonical SMILES for CID 54031697 is CO[Si]CCCN(C)C.
What is the InChIKey of CID 54031697?
The InChIKey is IFXKFDRSXTUAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOSi/c1-7(2)5-4-6-9-8-3/h4-6H2,1-3H3.
What are the key properties of CID 54031697?
CID 54031697 has a molecular weight of 145.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54031697 is sourced from PubChem (CID 54031697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).