1-(4-ethylcyclohexyl)-4-nonylbenzene

C23H38 — CID 20683410

IUPAC1-(4-ethylcyclohexyl)-4-nonylbenzene
SMILESCCCCCCCCCc1ccc(C2CCC(CC)CC2)cc1
InChIInChI=1S/C23H38/c1-3-5-6-7-8-9-10-11-21-14-18-23(19-15-21)22-16-12-20(4-2)13-17-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3
InChIKeyJLQMOZFSYLYVOU-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.66
Rot. Bonds10

About 1-(4-ethylcyclohexyl)-4-nonylbenzene

1-(4-ethylcyclohexyl)-4-nonylbenzene (PubChem CID 20683410) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-nonylbenzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-nonylbenzene
PubChem CID20683410
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name1-(4-ethylcyclohexyl)-4-nonylbenzene
SMILESCCCCCCCCCc1ccc(C2CCC(CC)CC2)cc1
InChIInChI=1S/C23H38/c1-3-5-6-7-8-9-10-11-21-14-18-23(19-15-21)22-16-12-20(4-2)13-17-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3
InChIKeyJLQMOZFSYLYVOU-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-nonylbenzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-nonylbenzene (CID 20683410) is 1-(4-ethylcyclohexyl)-4-nonylbenzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-nonylbenzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-nonylbenzene is CCCCCCCCCc1ccc(C2CCC(CC)CC2)cc1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-nonylbenzene?
The InChIKey is JLQMOZFSYLYVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-3-5-6-7-8-9-10-11-21-14-18-23(19-15-21)22-16-12-20(4-2)13-17-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-nonylbenzene?
1-(4-ethylcyclohexyl)-4-nonylbenzene has a molecular weight of 314.56 g/mol, XLogP of 7.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-nonylbenzene is sourced from PubChem (CID 20683410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).