CID 166544684

C11H22N2O3Si — CID 166544684

IUPAC—
SMILESCCCOC(OCCC)[Si]CN1CCNC1=O
InChIInChI=1S/C11H22N2O3Si/c1-3-7-15-11(16-8-4-2)17-9-13-6-5-12-10(13)14/h11H,3-9H2,1-2H3,(H,12,14)
InChIKeyGHYYSIKEWLSUNU-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.81
Rot. Bonds9

About CID 166544684

CID 166544684 (PubChem CID 166544684) has the molecular formula C11H22N2O3Si and a molecular weight of 258.39 g/mol.

Molecular Properties

Compound NameCID 166544684
PubChem CID166544684
Molecular FormulaC11H22N2O3Si
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name—
SMILESCCCOC(OCCC)[Si]CN1CCNC1=O
InChIInChI=1S/C11H22N2O3Si/c1-3-7-15-11(16-8-4-2)17-9-13-6-5-12-10(13)14/h11H,3-9H2,1-2H3,(H,12,14)
InChIKeyGHYYSIKEWLSUNU-UHFFFAOYSA-N
XLogP0.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 166544684?
The IUPAC name of CID 166544684 (CID 166544684) is not available.
What is the SMILES notation for CID 166544684?
The canonical SMILES for CID 166544684 is CCCOC(OCCC)[Si]CN1CCNC1=O.
What is the InChIKey of CID 166544684?
The InChIKey is GHYYSIKEWLSUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3Si/c1-3-7-15-11(16-8-4-2)17-9-13-6-5-12-10(13)14/h11H,3-9H2,1-2H3,(H,12,14).
What are the key properties of CID 166544684?
CID 166544684 has a molecular weight of 258.39 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544684 is sourced from PubChem (CID 166544684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).