cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene

C23H30 — CID 143300739

IUPACcyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene
SMILESC/C=C\C(=CCC)c1ccccc1C.C1=CC=CCC=C1.C=C
InChIInChI=1S/C14H18.C7H8.C2H4/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3;1-2-4-6-7-5-3-1;1-2/h4,6-11H,5H2,1-3H3;1-6H,7H2;1-2H2/b8-4-,13-9?;;
InChIKeyAMJURZVGNNGOOQ-XJHLRWICSA-N
MW306.49 g/mol
LogP7.23
Rot. Bonds3

About cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene

cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene (PubChem CID 143300739) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene.

Molecular Properties

Compound Namecyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene
PubChem CID143300739
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Namecyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene
SMILESC/C=C\C(=CCC)c1ccccc1C.C1=CC=CCC=C1.C=C
InChIInChI=1S/C14H18.C7H8.C2H4/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3;1-2-4-6-7-5-3-1;1-2/h4,6-11H,5H2,1-3H3;1-6H,7H2;1-2H2/b8-4-,13-9?;;
InChIKeyAMJURZVGNNGOOQ-XJHLRWICSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene?
The IUPAC name of cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene (CID 143300739) is cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene.
What is the SMILES notation for cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene?
The canonical SMILES for cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene is C/C=C\C(=CCC)c1ccccc1C.C1=CC=CCC=C1.C=C.
What is the InChIKey of cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene?
The InChIKey is AMJURZVGNNGOOQ-XJHLRWICSA-N. The full InChI is InChI=1S/C14H18.C7H8.C2H4/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3;1-2-4-6-7-5-3-1;1-2/h4,6-11H,5H2,1-3H3;1-6H,7H2;1-2H2/b8-4-,13-9?;;.
What are the key properties of cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene?
cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene has a molecular weight of 306.49 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene is sourced from PubChem (CID 143300739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).