4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile

C26H37N — CID 67680855

IUPAC4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile
SMILESCCCC1CCC(C2CCC(C/C=C\Cc3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C26H37N/c1-2-5-21-12-16-25(17-13-21)26-18-14-23(15-19-26)7-4-3-6-22-8-10-24(20-27)11-9-22/h3-4,8-11,21,23,25-26H,2,5-7,12-19H2,1H3/b4-3-
InChIKeyXGCRIHJUJANZTF-ARJAWSKDSA-N
MW363.59 g/mol
LogP7.46
Rot. Bonds7

About 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile

4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile (PubChem CID 67680855) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile
PubChem CID67680855
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile
SMILESCCCC1CCC(C2CCC(C/C=C\Cc3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C26H37N/c1-2-5-21-12-16-25(17-13-21)26-18-14-23(15-19-26)7-4-3-6-22-8-10-24(20-27)11-9-22/h3-4,8-11,21,23,25-26H,2,5-7,12-19H2,1H3/b4-3-
InChIKeyXGCRIHJUJANZTF-ARJAWSKDSA-N
XLogP7.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 57097862
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
4-[2-(4-but-2-enylcyclohexyl)ethyl]benzonitrile
CID 57157511
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene
CID 54259474
1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene
CID 67680891
4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 54171729
1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
CID 173321823
1,2-difluoro-4-[(Z)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 67680833
4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
CID 150509370
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 54497381

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile?
The IUPAC name of 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile (CID 67680855) is 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile?
The canonical SMILES for 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile is CCCC1CCC(C2CCC(C/C=C\Cc3ccc(C#N)cc3)CC2)CC1.
What is the InChIKey of 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile?
The InChIKey is XGCRIHJUJANZTF-ARJAWSKDSA-N. The full InChI is InChI=1S/C26H37N/c1-2-5-21-12-16-25(17-13-21)26-18-14-23(15-19-26)7-4-3-6-22-8-10-24(20-27)11-9-22/h3-4,8-11,21,23,25-26H,2,5-7,12-19H2,1H3/b4-3-.
What are the key properties of 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile?
4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile has a molecular weight of 363.59 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile is sourced from PubChem (CID 67680855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).