2-(10-hydroxydecyl)isoindole-1,3-dione

C18H25NO3 — CID 54305715

IUPAC2-(10-hydroxydecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCO
InChIInChI=1S/C18H25NO3/c20-14-10-6-4-2-1-3-5-9-13-19-17(21)15-11-7-8-12-16(15)18(19)22/h7-8,11-12,20H,1-6,9-10,13-14H2
InChIKeyJLWNYLGFBYOQBP-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.40
Rot. Bonds10

About 2-(10-hydroxydecyl)isoindole-1,3-dione

2-(10-hydroxydecyl)isoindole-1,3-dione (PubChem CID 54305715) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(10-hydroxydecyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(10-hydroxydecyl)isoindole-1,3-dione
PubChem CID54305715
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(10-hydroxydecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCO
InChIInChI=1S/C18H25NO3/c20-14-10-6-4-2-1-3-5-9-13-19-17(21)15-11-7-8-12-16(15)18(19)22/h7-8,11-12,20H,1-6,9-10,13-14H2
InChIKeyJLWNYLGFBYOQBP-UHFFFAOYSA-N
XLogP3.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
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 2-(10-hydroxydecyl)isoindole-1,3-dione?
The IUPAC name of 2-(10-hydroxydecyl)isoindole-1,3-dione (CID 54305715) is 2-(10-hydroxydecyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(10-hydroxydecyl)isoindole-1,3-dione?
The canonical SMILES for 2-(10-hydroxydecyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCCCO.
What is the InChIKey of 2-(10-hydroxydecyl)isoindole-1,3-dione?
The InChIKey is JLWNYLGFBYOQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-14-10-6-4-2-1-3-5-9-13-19-17(21)15-11-7-8-12-16(15)18(19)22/h7-8,11-12,20H,1-6,9-10,13-14H2.
What are the key properties of 2-(10-hydroxydecyl)isoindole-1,3-dione?
2-(10-hydroxydecyl)isoindole-1,3-dione has a molecular weight of 303.40 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-hydroxydecyl)isoindole-1,3-dione is sourced from PubChem (CID 54305715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).