8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline

C23H29N — CID 138733323

IUPAC8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline
SMILESCC=CCC(CC)C1=C(CC)C(C)(C)c2cccc3ccnc1c23
InChIInChI=1S/C23H29N/c1-6-9-11-16(7-2)20-18(8-3)23(4,5)19-13-10-12-17-14-15-24-22(20)21(17)19/h6,9-10,12-16H,7-8,11H2,1-5H3
InChIKeyJXVOBNPKZMJYNX-UHFFFAOYSA-N
MW319.49 g/mol
LogP6.68
Rot. Bonds5

About 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline

8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline (PubChem CID 138733323) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline.

Molecular Properties

Compound Name8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline
PubChem CID138733323
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline
SMILESCC=CCC(CC)C1=C(CC)C(C)(C)c2cccc3ccnc1c23
InChIInChI=1S/C23H29N/c1-6-9-11-16(7-2)20-18(8-3)23(4,5)19-13-10-12-17-14-15-24-22(20)21(17)19/h6,9-10,12-16H,7-8,11H2,1-5H3
InChIKeyJXVOBNPKZMJYNX-UHFFFAOYSA-N
XLogP6.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline?
The IUPAC name of 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline (CID 138733323) is 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline.
What is the SMILES notation for 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline?
The canonical SMILES for 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline is CC=CCC(CC)C1=C(CC)C(C)(C)c2cccc3ccnc1c23.
What is the InChIKey of 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline?
The InChIKey is JXVOBNPKZMJYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-6-9-11-16(7-2)20-18(8-3)23(4,5)19-13-10-12-17-14-15-24-22(20)21(17)19/h6,9-10,12-16H,7-8,11H2,1-5H3.
What are the key properties of 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline?
8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline has a molecular weight of 319.49 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline is sourced from PubChem (CID 138733323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).