2-(6-methoxyhexyl)isoindole-1,3-dione

C15H19NO3 — CID 14947433

IUPAC2-(6-methoxyhexyl)isoindole-1,3-dione
SMILESCOCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19NO3/c1-19-11-7-3-2-6-10-16-14(17)12-8-4-5-9-13(12)15(16)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyJAZYLDHSBHNGAX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.49
Rot. Bonds7

About 2-(6-methoxyhexyl)isoindole-1,3-dione

2-(6-methoxyhexyl)isoindole-1,3-dione (PubChem CID 14947433) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(6-methoxyhexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-methoxyhexyl)isoindole-1,3-dione
PubChem CID14947433
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(6-methoxyhexyl)isoindole-1,3-dione
SMILESCOCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19NO3/c1-19-11-7-3-2-6-10-16-14(17)12-8-4-5-9-13(12)15(16)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyJAZYLDHSBHNGAX-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
2-[7-(2,2-dimethylpropoxy)heptyl]isoindole-1,3-dione
CID 139959344
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
2-[4-[4-(1,3-dioxoisoindol-2-yl)butyl-methylphosphoryl]oxybutyl]isoindole-1,3-dione
CID 11869157
3-(1,3-dioxoisoindol-2-yl)propyl 2-methoxyacetate
CID 110495069
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
2-[3-[3-(4-methoxybutoxy)phenyl]propyl]isoindole-1,3-dione
CID 67316748
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108536789

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxyhexyl)isoindole-1,3-dione?
The IUPAC name of 2-(6-methoxyhexyl)isoindole-1,3-dione (CID 14947433) is 2-(6-methoxyhexyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-methoxyhexyl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-methoxyhexyl)isoindole-1,3-dione is COCCCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(6-methoxyhexyl)isoindole-1,3-dione?
The InChIKey is JAZYLDHSBHNGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-11-7-3-2-6-10-16-14(17)12-8-4-5-9-13(12)15(16)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-(6-methoxyhexyl)isoindole-1,3-dione?
2-(6-methoxyhexyl)isoindole-1,3-dione has a molecular weight of 261.32 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxyhexyl)isoindole-1,3-dione is sourced from PubChem (CID 14947433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).