4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione

C23H29NO2 — CID 68508915

IUPAC4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione
SMILESCC(C)=CCCC(C)=CCCC(C)=CCc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C23H29NO2/c1-16(2)8-5-9-17(3)10-6-11-18(4)14-15-19-12-7-13-20-21(19)23(26)24-22(20)25/h7-8,10,12-14H,5-6,9,11,15H2,1-4H3,(H,24,25,26)
InChIKeyJZNFQIPFYLAOAI-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.53
Rot. Bonds8

About 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione

4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione (PubChem CID 68508915) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione
PubChem CID68508915
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione
SMILESCC(C)=CCCC(C)=CCCC(C)=CCc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C23H29NO2/c1-16(2)8-5-9-17(3)10-6-11-18(4)14-15-19-12-7-13-20-21(19)23(26)24-22(20)25/h7-8,10,12-14H,5-6,9,11,15H2,1-4H3,(H,24,25,26)
InChIKeyJZNFQIPFYLAOAI-UHFFFAOYSA-N
XLogP5.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione?
The IUPAC name of 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione (CID 68508915) is 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione?
The canonical SMILES for 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione is CC(C)=CCCC(C)=CCCC(C)=CCc1cccc2c1C(=O)NC2=O.
What is the InChIKey of 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione?
The InChIKey is JZNFQIPFYLAOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(2)8-5-9-17(3)10-6-11-18(4)14-15-19-12-7-13-20-21(19)23(26)24-22(20)25/h7-8,10,12-14H,5-6,9,11,15H2,1-4H3,(H,24,25,26).
What are the key properties of 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione?
4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione has a molecular weight of 351.49 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione is sourced from PubChem (CID 68508915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).