CID 166544678

C11H22N2O3Si — CID 166544678

IUPAC—
SMILESCCCCC(CCN1CCNC1=O)[Si]C(O)O
InChIInChI=1S/C11H22N2O3Si/c1-2-3-4-9(17-11(15)16)5-7-13-8-6-12-10(13)14/h9,11,15-16H,2-8H2,1H3,(H,12,14)
InChIKeyQDXNENCVZZHLRI-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.35
Rot. Bonds8

About CID 166544678

CID 166544678 (PubChem CID 166544678) has the molecular formula C11H22N2O3Si and a molecular weight of 258.39 g/mol.

Molecular Properties

Compound NameCID 166544678
PubChem CID166544678
Molecular FormulaC11H22N2O3Si
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name—
SMILESCCCCC(CCN1CCNC1=O)[Si]C(O)O
InChIInChI=1S/C11H22N2O3Si/c1-2-3-4-9(17-11(15)16)5-7-13-8-6-12-10(13)14/h9,11,15-16H,2-8H2,1H3,(H,12,14)
InChIKeyQDXNENCVZZHLRI-UHFFFAOYSA-N
XLogP0.35
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 166544678 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 166544678?
The IUPAC name of CID 166544678 (CID 166544678) is not available.
What is the SMILES notation for CID 166544678?
The canonical SMILES for CID 166544678 is CCCCC(CCN1CCNC1=O)[Si]C(O)O.
What is the InChIKey of CID 166544678?
The InChIKey is QDXNENCVZZHLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3Si/c1-2-3-4-9(17-11(15)16)5-7-13-8-6-12-10(13)14/h9,11,15-16H,2-8H2,1H3,(H,12,14).
What are the key properties of CID 166544678?
CID 166544678 has a molecular weight of 258.39 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544678 is sourced from PubChem (CID 166544678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).