1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene

C23H36 — CID 20538372

IUPAC1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C23H36/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h14-21H,3-13H2,1-2H3
InChIKeyQDYOHBUWHCSQLP-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.44
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene

1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene (PubChem CID 20538372) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
PubChem CID20538372
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C23H36/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h14-21H,3-13H2,1-2H3
InChIKeyQDYOHBUWHCSQLP-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
(4-propylcyclohexyl)benzene
CID 155887669
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-(2-iodoethynyl)-4-(4-propylcyclohexyl)benzene
CID 22123958
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide
CID 19026508
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 70598371
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene (CID 20538372) is 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(C3CCC(CC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene?
The InChIKey is QDYOHBUWHCSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h14-21H,3-13H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene?
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene has a molecular weight of 312.54 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 20538372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).