(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile

C24H33N — CID 19612816

IUPAC(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
SMILESCCCc1ccc(C2CCC(C3CCC(/C=C/C#N)CC3)CC2)cc1
InChIInChI=1S/C24H33N/c1-2-4-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-18-25/h3,5-7,10-11,20,22-24H,2,4,8-9,12-17H2,1H3/b5-3+
InChIKeyJJHIXYATIPJSHB-HWKANZROSA-N
MW335.54 g/mol
LogP6.80
Rot. Bonds5

About (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile

(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile (PubChem CID 19612816) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
PubChem CID19612816
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
SMILESCCCc1ccc(C2CCC(C3CCC(/C=C/C#N)CC3)CC2)cc1
InChIInChI=1S/C24H33N/c1-2-4-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-18-25/h3,5-7,10-11,20,22-24H,2,4,8-9,12-17H2,1H3/b5-3+
InChIKeyJJHIXYATIPJSHB-HWKANZROSA-N
XLogP6.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
5-[4-(4-propylphenyl)cyclohexyl]penta-2,4-dienenitrile
CID 54105886
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
3-[4-[1-[4-(4-butylphenyl)cyclohexyl]ethenyl]cyclohexyl]prop-2-enenitrile
CID 67589527
(E)-3-[4-[1-[4-(4-butylphenyl)cyclohexyl]ethenyl]cyclohexyl]prop-2-enenitrile
CID 19612778
3-[4-[hydroxy-[4-(4-pentylphenyl)cyclohexyl]methyl]cyclohexyl]prop-2-enenitrile
CID 57211449
(E)-3-[4-[4-(4-fluorophenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19613534
5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile
CID 54552630
1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 140619239
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile?
The IUPAC name of (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile (CID 19612816) is (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile?
The canonical SMILES for (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile is CCCc1ccc(C2CCC(C3CCC(/C=C/C#N)CC3)CC2)cc1.
What is the InChIKey of (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile?
The InChIKey is JJHIXYATIPJSHB-HWKANZROSA-N. The full InChI is InChI=1S/C24H33N/c1-2-4-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-18-25/h3,5-7,10-11,20,22-24H,2,4,8-9,12-17H2,1H3/b5-3+.
What are the key properties of (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile?
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile has a molecular weight of 335.54 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile is sourced from PubChem (CID 19612816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).