CID 166544680

C12H24N2O3Si — CID 166544680

IUPAC—
SMILESCCOC(OCC)[Si]C(C)CCN1CCNC1=O
InChIInChI=1S/C12H24N2O3Si/c1-4-16-12(17-5-2)18-10(3)6-8-14-9-7-13-11(14)15/h10,12H,4-9H2,1-3H3,(H,13,15)
InChIKeyNHYUHKYYGDORKG-UHFFFAOYSA-N
MW272.42 g/mol
LogP1.27
Rot. Bonds9

About CID 166544680

CID 166544680 (PubChem CID 166544680) has the molecular formula C12H24N2O3Si and a molecular weight of 272.42 g/mol.

Molecular Properties

Compound NameCID 166544680
PubChem CID166544680
Molecular FormulaC12H24N2O3Si
Molecular Weight272.42 g/mol
Exact Mass272.16
IUPAC Name—
SMILESCCOC(OCC)[Si]C(C)CCN1CCNC1=O
InChIInChI=1S/C12H24N2O3Si/c1-4-16-12(17-5-2)18-10(3)6-8-14-9-7-13-11(14)15/h10,12H,4-9H2,1-3H3,(H,13,15)
InChIKeyNHYUHKYYGDORKG-UHFFFAOYSA-N
XLogP1.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 51.27
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 166544680?
The IUPAC name of CID 166544680 (CID 166544680) is not available.
What is the SMILES notation for CID 166544680?
The canonical SMILES for CID 166544680 is CCOC(OCC)[Si]C(C)CCN1CCNC1=O.
What is the InChIKey of CID 166544680?
The InChIKey is NHYUHKYYGDORKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3Si/c1-4-16-12(17-5-2)18-10(3)6-8-14-9-7-13-11(14)15/h10,12H,4-9H2,1-3H3,(H,13,15).
What are the key properties of CID 166544680?
CID 166544680 has a molecular weight of 272.42 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544680 is sourced from PubChem (CID 166544680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).