2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione

C18H25NO3 — CID 132513364

IUPAC2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione
SMILESCC(CCCC(C)(C)O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-13(7-6-11-18(2,3)22)10-12-19-16(20)14-8-4-5-9-15(14)17(19)21/h4-5,8-9,13,22H,6-7,10-12H2,1-3H3
InChIKeyTWCJGZVHMZLJTF-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.25
Rot. Bonds7

About 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione

2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione (PubChem CID 132513364) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione
PubChem CID132513364
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione
SMILESCC(CCCC(C)(C)O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-13(7-6-11-18(2,3)22)10-12-19-16(20)14-8-4-5-9-15(14)17(19)21/h4-5,8-9,13,22H,6-7,10-12H2,1-3H3
InChIKeyTWCJGZVHMZLJTF-UHFFFAOYSA-N
XLogP3.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 821234
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[(3R,4S)-3-hydroxy-4-methyl-5-oxohexyl]isoindole-1,3-dione
CID 59923990
2-(3-sulfanyl-3-tritert-butylsilylpropyl)isoindole-1,3-dione
CID 102364254
2-(3,7,11,15-tetramethylhexadec-2-enyl)isoindole-1,3-dione
CID 175607133
2-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]isoindole-1,3-dione
CID 164756235
3-[(3S)-7-hydroxy-3,7-dimethyloctoxy]-2-methoxy-3-(trifluoromethyl)isoindol-1-one
CID 132523299
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
2-[4,4-bis[di(propan-2-yloxy)phosphoryl]pentyl]isoindole-1,3-dione
CID 139615917
benzyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-hydroxy-6-methylheptanoate
CID 10763243

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione?
The IUPAC name of 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione (CID 132513364) is 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione is CC(CCCC(C)(C)O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione?
The InChIKey is TWCJGZVHMZLJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(7-6-11-18(2,3)22)10-12-19-16(20)14-8-4-5-9-15(14)17(19)21/h4-5,8-9,13,22H,6-7,10-12H2,1-3H3.
What are the key properties of 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione?
2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione has a molecular weight of 303.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione is sourced from PubChem (CID 132513364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).