1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene

C21H30 — CID 22915848

IUPAC1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(/C=C/C=C(C)C)CC2)cc1
InChIInChI=1S/C21H30/c1-4-6-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-5-7-17(2)3/h5,7-10,13-14,19,21H,4,6,11-12,15-16H2,1-3H3/b8-5+
InChIKeyCNOOQXPCIUICJV-VMPITWQZSA-N
MW282.47 g/mol
LogP6.44
Rot. Bonds5

About 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene

1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene (PubChem CID 22915848) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene
PubChem CID22915848
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(/C=C/C=C(C)C)CC2)cc1
InChIInChI=1S/C21H30/c1-4-6-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-5-7-17(2)3/h5,7-10,13-14,19,21H,4,6,11-12,15-16H2,1-3H3/b8-5+
InChIKeyCNOOQXPCIUICJV-VMPITWQZSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene 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

1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
5-[4-(4-propylphenyl)cyclohexyl]penta-2,4-dienenitrile
CID 54105886
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816
2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane
CID 154524141
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
CID 56985726
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene (CID 22915848) is 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(/C=C/C=C(C)C)CC2)cc1.
What is the InChIKey of 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene?
The InChIKey is CNOOQXPCIUICJV-VMPITWQZSA-N. The full InChI is InChI=1S/C21H30/c1-4-6-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-5-7-17(2)3/h5,7-10,13-14,19,21H,4,6,11-12,15-16H2,1-3H3/b8-5+.
What are the key properties of 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene?
1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene has a molecular weight of 282.47 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 22915848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).