4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione

C14H23NO5Si — CID 59439497

IUPAC4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
SMILESCO[Si](C)(CCCN1C(=O)C2CC3OC3CC2C1=O)OC
InChIInChI=1S/C14H23NO5Si/c1-18-21(3,19-2)6-4-5-15-13(16)9-7-11-12(20-11)8-10(9)14(15)17/h9-12H,4-8H2,1-3H3
InChIKeyTXZYUHPFHJIUMN-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.90
Rot. Bonds6

About 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione

4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione (PubChem CID 59439497) has the molecular formula C14H23NO5Si and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione.

Molecular Properties

Compound Name4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
PubChem CID59439497
Molecular FormulaC14H23NO5Si
Molecular Weight313.43 g/mol
Exact Mass313.13
IUPAC Name4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
SMILESCO[Si](C)(CCCN1C(=O)C2CC3OC3CC2C1=O)OC
InChIInChI=1S/C14H23NO5Si/c1-18-21(3,19-2)6-4-5-15-13(16)9-7-11-12(20-11)8-10(9)14(15)17/h9-12H,4-8H2,1-3H3
InChIKeyTXZYUHPFHJIUMN-UHFFFAOYSA-N
XLogP0.90
TPSA68.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
The IUPAC name of 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione (CID 59439497) is 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione.
What is the SMILES notation for 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
The canonical SMILES for 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione is CO[Si](C)(CCCN1C(=O)C2CC3OC3CC2C1=O)OC.
What is the InChIKey of 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
The InChIKey is TXZYUHPFHJIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5Si/c1-18-21(3,19-2)6-4-5-15-13(16)9-7-11-12(20-11)8-10(9)14(15)17/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione has a molecular weight of 313.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione is sourced from PubChem (CID 59439497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).