4-(10-hydroxydecyl)isoindole-1,3-dione

C18H25NO3 — CID 118982082

IUPAC4-(10-hydroxydecyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CCCCCCCCCCO)cccc21
InChIInChI=1S/C18H25NO3/c20-13-8-6-4-2-1-3-5-7-10-14-11-9-12-15-16(14)18(22)19-17(15)21/h9,11-12,20H,1-8,10,13H2,(H,19,21,22)
InChIKeyCPPARVDWFAVJGU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.23
Rot. Bonds10

About 4-(10-hydroxydecyl)isoindole-1,3-dione

4-(10-hydroxydecyl)isoindole-1,3-dione (PubChem CID 118982082) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-(10-hydroxydecyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(10-hydroxydecyl)isoindole-1,3-dione
PubChem CID118982082
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-(10-hydroxydecyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CCCCCCCCCCO)cccc21
InChIInChI=1S/C18H25NO3/c20-13-8-6-4-2-1-3-5-7-10-14-11-9-12-15-16(14)18(22)19-17(15)21/h9,11-12,20H,1-8,10,13H2,(H,19,21,22)
InChIKeyCPPARVDWFAVJGU-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(10-hydroxydecyl)isoindole-1,3-dione?
The IUPAC name of 4-(10-hydroxydecyl)isoindole-1,3-dione (CID 118982082) is 4-(10-hydroxydecyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(10-hydroxydecyl)isoindole-1,3-dione?
The canonical SMILES for 4-(10-hydroxydecyl)isoindole-1,3-dione is O=C1NC(=O)c2c(CCCCCCCCCCO)cccc21.
What is the InChIKey of 4-(10-hydroxydecyl)isoindole-1,3-dione?
The InChIKey is CPPARVDWFAVJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-13-8-6-4-2-1-3-5-7-10-14-11-9-12-15-16(14)18(22)19-17(15)21/h9,11-12,20H,1-8,10,13H2,(H,19,21,22).
What are the key properties of 4-(10-hydroxydecyl)isoindole-1,3-dione?
4-(10-hydroxydecyl)isoindole-1,3-dione has a molecular weight of 303.40 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-hydroxydecyl)isoindole-1,3-dione is sourced from PubChem (CID 118982082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).