6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene

C19H24Cl2 — CID 123926884

IUPAC6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene
SMILESCCC1=CCCCC(=Cc2c(Cl)cc(C)cc2Cl)CCC1
InChIInChI=1S/C19H24Cl2/c1-3-15-7-4-5-8-16(10-6-9-15)13-17-18(20)11-14(2)12-19(17)21/h7,11-13H,3-6,8-10H2,1-2H3
InChIKeyHPCWXKXNRLNNGS-UHFFFAOYSA-N
MW323.31 g/mol
LogP7.38
Rot. Bonds2

About 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene

6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene (PubChem CID 123926884) has the molecular formula C19H24Cl2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene.

Molecular Properties

Compound Name6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene
PubChem CID123926884
Molecular FormulaC19H24Cl2
Molecular Weight323.31 g/mol
Exact Mass322.13
IUPAC Name6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene
SMILESCCC1=CCCCC(=Cc2c(Cl)cc(C)cc2Cl)CCC1
InChIInChI=1S/C19H24Cl2/c1-3-15-7-4-5-8-16(10-6-9-15)13-17-18(20)11-14(2)12-19(17)21/h7,11-13H,3-6,8-10H2,1-2H3
InChIKeyHPCWXKXNRLNNGS-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.31
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106164705
1-ethyl-3,4-dimethylcycloocta-1,4-diene
CID 123921718
1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149
2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone
CID 106867186
4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
CID 106166084
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 79884493
cyclopenten-1-ylmethylsilane
CID 172697328
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-buta-2,3-dienylcyclopentene
CID 57298575
1-(methylsulfanylmethyl)cyclopentene
CID 54104763
5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline
CID 106177686
1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one
CID 130927828

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene?
The IUPAC name of 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene (CID 123926884) is 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene.
What is the SMILES notation for 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene?
The canonical SMILES for 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene is CCC1=CCCCC(=Cc2c(Cl)cc(C)cc2Cl)CCC1.
What is the InChIKey of 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene?
The InChIKey is HPCWXKXNRLNNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2/c1-3-15-7-4-5-8-16(10-6-9-15)13-17-18(20)11-14(2)12-19(17)21/h7,11-13H,3-6,8-10H2,1-2H3.
What are the key properties of 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene?
6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene has a molecular weight of 323.31 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene is sourced from PubChem (CID 123926884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).