CID 166544675

C13H26N2O3Si — CID 166544675

IUPAC—
SMILESCCCOC(OCCC)[Si]CCCN1CCNC1=O
InChIInChI=1S/C13H26N2O3Si/c1-3-9-17-13(18-10-4-2)19-11-5-7-15-8-6-14-12(15)16/h13H,3-11H2,1-2H3,(H,14,16)
InChIKeyIBLYOTWGFYTPDN-UHFFFAOYSA-N
MW286.45 g/mol
LogP1.66
Rot. Bonds11

About CID 166544675

CID 166544675 (PubChem CID 166544675) has the molecular formula C13H26N2O3Si and a molecular weight of 286.45 g/mol.

Molecular Properties

Compound NameCID 166544675
PubChem CID166544675
Molecular FormulaC13H26N2O3Si
Molecular Weight286.45 g/mol
Exact Mass286.17
IUPAC Name—
SMILESCCCOC(OCCC)[Si]CCCN1CCNC1=O
InChIInChI=1S/C13H26N2O3Si/c1-3-9-17-13(18-10-4-2)19-11-5-7-15-8-6-14-12(15)16/h13H,3-11H2,1-2H3,(H,14,16)
InChIKeyIBLYOTWGFYTPDN-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 166544675?
The IUPAC name of CID 166544675 (CID 166544675) is not available.
What is the SMILES notation for CID 166544675?
The canonical SMILES for CID 166544675 is CCCOC(OCCC)[Si]CCCN1CCNC1=O.
What is the InChIKey of CID 166544675?
The InChIKey is IBLYOTWGFYTPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3Si/c1-3-9-17-13(18-10-4-2)19-11-5-7-15-8-6-14-12(15)16/h13H,3-11H2,1-2H3,(H,14,16).
What are the key properties of CID 166544675?
CID 166544675 has a molecular weight of 286.45 g/mol, XLogP of 1.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544675 is sourced from PubChem (CID 166544675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).