1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene

C24H36 — CID 59265544

IUPAC1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene
SMILESCCc1ccc(CC2=CCC(CC3CCC(CC)CC3)CC2)cc1
InChIInChI=1S/C24H36/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22/h5-6,9-10,13,20,22,24H,3-4,7-8,11-12,14-18H2,1-2H3
InChIKeyRYKBURRITOKSOB-UHFFFAOYSA-N
MW324.55 g/mol
LogP7.12
Rot. Bonds6

About 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene

1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene (PubChem CID 59265544) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene
PubChem CID59265544
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene
SMILESCCc1ccc(CC2=CCC(CC3CCC(CC)CC3)CC2)cc1
InChIInChI=1S/C24H36/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22/h5-6,9-10,13,20,22,24H,3-4,7-8,11-12,14-18H2,1-2H3
InChIKeyRYKBURRITOKSOB-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene?
The IUPAC name of 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene (CID 59265544) is 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene.
What is the SMILES notation for 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene?
The canonical SMILES for 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene is CCc1ccc(CC2=CCC(CC3CCC(CC)CC3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene?
The InChIKey is RYKBURRITOKSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22/h5-6,9-10,13,20,22,24H,3-4,7-8,11-12,14-18H2,1-2H3.
What are the key properties of 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene?
1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene has a molecular weight of 324.55 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene is sourced from PubChem (CID 59265544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).