1-(4-ethylcyclohexyl)-4-pentylbenzene

C19H30 — CID 20683439

IUPAC1-(4-ethylcyclohexyl)-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(CC)CC2)cc1
InChIInChI=1S/C19H30/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10-11,14-16,18H,3-9,12-13H2,1-2H3
InChIKeyIMWLTSGBLBWSEG-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.10
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-4-pentylbenzene

1-(4-ethylcyclohexyl)-4-pentylbenzene (PubChem CID 20683439) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-pentylbenzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-pentylbenzene
PubChem CID20683439
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-(4-ethylcyclohexyl)-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(CC)CC2)cc1
InChIInChI=1S/C19H30/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10-11,14-16,18H,3-9,12-13H2,1-2H3
InChIKeyIMWLTSGBLBWSEG-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.10
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-nonylbenzene
CID 20683410
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
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-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
[4-(4-ethylcyclohexyl)phenyl] 4-pentylbenzoate
CID 23334649
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-pentylbenzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-pentylbenzene (CID 20683439) is 1-(4-ethylcyclohexyl)-4-pentylbenzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-pentylbenzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-pentylbenzene is CCCCCc1ccc(C2CCC(CC)CC2)cc1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-pentylbenzene?
The InChIKey is IMWLTSGBLBWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10-11,14-16,18H,3-9,12-13H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-pentylbenzene?
1-(4-ethylcyclohexyl)-4-pentylbenzene has a molecular weight of 258.45 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-pentylbenzene is sourced from PubChem (CID 20683439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).