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

C24H33NO — CID 19612905

IUPAC(E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile
SMILESCCc1ccc(C2CCC(COC3CCC(/C=C/C#N)CC3)CC2)cc1
InChIInChI=1S/C24H33NO/c1-2-19-5-11-22(12-6-19)23-13-7-21(8-14-23)18-26-24-15-9-20(10-16-24)4-3-17-25/h3-6,11-12,20-21,23-24H,2,7-10,13-16,18H2,1H3/b4-3+
InChIKeyXFZWDKKPYIPKBR-ONEGZZNKSA-N
MW351.53 g/mol
LogP6.18
Rot. Bonds6

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

(E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile (PubChem CID 19612905) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile
PubChem CID19612905
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name(E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile
SMILESCCc1ccc(C2CCC(COC3CCC(/C=C/C#N)CC3)CC2)cc1
InChIInChI=1S/C24H33NO/c1-2-19-5-11-22(12-6-19)23-13-7-21(8-14-23)18-26-24-15-9-20(10-16-24)4-3-17-25/h3-6,11-12,20-21,23-24H,2,7-10,13-16,18H2,1H3/b4-3+
InChIKeyXFZWDKKPYIPKBR-ONEGZZNKSA-N
XLogP6.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile 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-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54190385
(E)-3-[4-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]cyclohexyl]prop-2-enenitrile
CID 19613483
3-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile
CID 54137400
5-[4-[[4-(4-propylphenyl)cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54133590
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816
(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
3-[4-[(4-pentylcyclohexyl)methoxy]cyclohexyl]prop-2-enenitrile
CID 54255685
7-[4-[[4-(4-butylphenyl)cyclohexyl]oxymethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 54389603
5-[4-[(4-ethylphenyl)methoxy]cyclohexyl]penta-2,4-dienenitrile
CID 56627834
4-[4-[[4-(4-cyano-4-fluorobuta-1,3-dienyl)cyclohexyl]methoxy]cyclohexyl]benzonitrile
CID 173304480
[4-[(E)-2-cyanoethenyl]cyclohexyl] 4-ethylbenzoate
CID 19612719
(E)-2-fluoro-3-[4-[[4-(4-pentylphenyl)cyclohexyl]oxymethyl]cyclohexyl]prop-2-enenitrile
CID 19613344

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile?
The IUPAC name of (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile (CID 19612905) is (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile?
The canonical SMILES for (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile is CCc1ccc(C2CCC(COC3CCC(/C=C/C#N)CC3)CC2)cc1.
What is the InChIKey of (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile?
The InChIKey is XFZWDKKPYIPKBR-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H33NO/c1-2-19-5-11-22(12-6-19)23-13-7-21(8-14-23)18-26-24-15-9-20(10-16-24)4-3-17-25/h3-6,11-12,20-21,23-24H,2,7-10,13-16,18H2,1H3/b4-3+.
What are the key properties of (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile?
(E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile has a molecular weight of 351.53 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile is sourced from PubChem (CID 19612905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).