2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione

C21H33NO5Si — CID 58517396

IUPAC2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione
SMILESCO[Si](O)(CCCCCCCCCCCN1C(=O)c2ccccc2C1=O)OC
InChIInChI=1S/C21H33NO5Si/c1-26-28(25,27-2)17-13-9-7-5-3-4-6-8-12-16-22-20(23)18-14-10-11-15-19(18)21(22)24/h10-11,14-15,25H,3-9,12-13,16-17H2,1-2H3
InChIKeyOASOFCNKGVSCLL-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.02
Rot. Bonds14

About 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione

2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione (PubChem CID 58517396) has the molecular formula C21H33NO5Si and a molecular weight of 407.58 g/mol. Its IUPAC name is 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione
PubChem CID58517396
Molecular FormulaC21H33NO5Si
Molecular Weight407.58 g/mol
Exact Mass407.21
IUPAC Name2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione
SMILESCO[Si](O)(CCCCCCCCCCCN1C(=O)c2ccccc2C1=O)OC
InChIInChI=1S/C21H33NO5Si/c1-26-28(25,27-2)17-13-9-7-5-3-4-6-8-12-16-22-20(23)18-14-10-11-15-19(18)21(22)24/h10-11,14-15,25H,3-9,12-13,16-17H2,1-2H3
InChIKeyOASOFCNKGVSCLL-UHFFFAOYSA-N
XLogP4.02
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione?
The IUPAC name of 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione (CID 58517396) is 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione?
The canonical SMILES for 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione is CO[Si](O)(CCCCCCCCCCCN1C(=O)c2ccccc2C1=O)OC.
What is the InChIKey of 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione?
The InChIKey is OASOFCNKGVSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO5Si/c1-26-28(25,27-2)17-13-9-7-5-3-4-6-8-12-16-22-20(23)18-14-10-11-15-19(18)21(22)24/h10-11,14-15,25H,3-9,12-13,16-17H2,1-2H3.
What are the key properties of 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione?
2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione has a molecular weight of 407.58 g/mol, XLogP of 4.02, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione is sourced from PubChem (CID 58517396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).