5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile

C26H41N — CID 54291459

IUPAC5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile
SMILESCCCCCCCC1CCC(C=CC2CCC(C=CC=CC#N)CC2)CC1
InChIInChI=1S/C26H41N/c1-2-3-4-5-7-10-23-12-16-25(17-13-23)20-21-26-18-14-24(15-19-26)11-8-6-9-22-27/h6,8-9,11,20-21,23-26H,2-5,7,10,12-19H2,1H3
InChIKeyRXUHWALYABGAGG-UHFFFAOYSA-N
MW367.62 g/mol
LogP8.15
Rot. Bonds10

About 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile

5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile (PubChem CID 54291459) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile.

Molecular Properties

Compound Name5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile
PubChem CID54291459
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC Name5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile
SMILESCCCCCCCC1CCC(C=CC2CCC(C=CC=CC#N)CC2)CC1
InChIInChI=1S/C26H41N/c1-2-3-4-5-7-10-23-12-16-25(17-13-23)20-21-26-18-14-24(15-19-26)11-8-6-9-22-27/h6,8-9,11,20-21,23-26H,2-5,7,10,12-19H2,1H3
InChIKeyRXUHWALYABGAGG-UHFFFAOYSA-N
XLogP8.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile 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

5-[4-(4-butylcyclohexyl)cyclohexyl]penta-2,4-dienenitrile
CID 54450686
(2E,4E)-7-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613180
3-[4-[(4-pentylcyclohexyl)methoxy]cyclohexyl]prop-2-enenitrile
CID 54255685
(2E,4E)-7-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613532
5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]cyclohexyl]penta-2,4-dienenitrile
CID 54348213
3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 67589827
3-(4-propylcyclohexyl)prop-2-enenitrile
CID 54536266
(2E,4E)-7-[4-[4-(4-heptylphenyl)butyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613586
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile?
The IUPAC name of 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile (CID 54291459) is 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile.
What is the SMILES notation for 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile?
The canonical SMILES for 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile is CCCCCCCC1CCC(C=CC2CCC(C=CC=CC#N)CC2)CC1.
What is the InChIKey of 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile?
The InChIKey is RXUHWALYABGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N/c1-2-3-4-5-7-10-23-12-16-25(17-13-23)20-21-26-18-14-24(15-19-26)11-8-6-9-22-27/h6,8-9,11,20-21,23-26H,2-5,7,10,12-19H2,1H3.
What are the key properties of 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile?
5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile has a molecular weight of 367.62 g/mol, XLogP of 8.15, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]penta-2,4-dienenitrile is sourced from PubChem (CID 54291459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).