CID 166544703

C14H28N2O3Si — CID 166544703

IUPAC—
SMILESCCCOC(OCCC)[Si]C(C)CCN1CCNC1=O
InChIInChI=1S/C14H28N2O3Si/c1-4-10-18-14(19-11-5-2)20-12(3)6-8-16-9-7-15-13(16)17/h12,14H,4-11H2,1-3H3,(H,15,17)
InChIKeyRNABICFMTATUNV-UHFFFAOYSA-N
MW300.48 g/mol
LogP2.05
Rot. Bonds11

About CID 166544703

CID 166544703 (PubChem CID 166544703) has the molecular formula C14H28N2O3Si and a molecular weight of 300.48 g/mol.

Molecular Properties

Compound NameCID 166544703
PubChem CID166544703
Molecular FormulaC14H28N2O3Si
Molecular Weight300.48 g/mol
Exact Mass300.19
IUPAC Name—
SMILESCCCOC(OCCC)[Si]C(C)CCN1CCNC1=O
InChIInChI=1S/C14H28N2O3Si/c1-4-10-18-14(19-11-5-2)20-12(3)6-8-16-9-7-15-13(16)17/h12,14H,4-11H2,1-3H3,(H,15,17)
InChIKeyRNABICFMTATUNV-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 52.05
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 166544703?
The IUPAC name of CID 166544703 (CID 166544703) is not available.
What is the SMILES notation for CID 166544703?
The canonical SMILES for CID 166544703 is CCCOC(OCCC)[Si]C(C)CCN1CCNC1=O.
What is the InChIKey of CID 166544703?
The InChIKey is RNABICFMTATUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3Si/c1-4-10-18-14(19-11-5-2)20-12(3)6-8-16-9-7-15-13(16)17/h12,14H,4-11H2,1-3H3,(H,15,17).
What are the key properties of CID 166544703?
CID 166544703 has a molecular weight of 300.48 g/mol, XLogP of 2.05, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544703 is sourced from PubChem (CID 166544703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).