CID 22413865

C13H24NO2Si2 — CID 22413865

IUPAC—
SMILESC[Si](C)O[Si](C)(C)CCCOc1cccc(N)c1
InChIInChI=1S/C13H24NO2Si2/c1-17(2)16-18(3,4)10-6-9-15-13-8-5-7-12(14)11-13/h5,7-8,11H,6,9-10,14H2,1-4H3
InChIKeyNLMGUYCOWJGGCX-UHFFFAOYSA-N
MW282.51 g/mol
LogP3.51
Rot. Bonds7

About CID 22413865

CID 22413865 (PubChem CID 22413865) has the molecular formula C13H24NO2Si2 and a molecular weight of 282.51 g/mol.

Molecular Properties

Compound NameCID 22413865
PubChem CID22413865
Molecular FormulaC13H24NO2Si2
Molecular Weight282.51 g/mol
Exact Mass282.13
IUPAC Name—
SMILESC[Si](C)O[Si](C)(C)CCCOc1cccc(N)c1
InChIInChI=1S/C13H24NO2Si2/c1-17(2)16-18(3,4)10-6-9-15-13-8-5-7-12(14)11-13/h5,7-8,11H,6,9-10,14H2,1-4H3
InChIKeyNLMGUYCOWJGGCX-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22413865?
The IUPAC name of CID 22413865 (CID 22413865) is not available.
What is the SMILES notation for CID 22413865?
The canonical SMILES for CID 22413865 is C[Si](C)O[Si](C)(C)CCCOc1cccc(N)c1.
What is the InChIKey of CID 22413865?
The InChIKey is NLMGUYCOWJGGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO2Si2/c1-17(2)16-18(3,4)10-6-9-15-13-8-5-7-12(14)11-13/h5,7-8,11H,6,9-10,14H2,1-4H3.
What are the key properties of CID 22413865?
CID 22413865 has a molecular weight of 282.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22413865 is sourced from PubChem (CID 22413865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).