1-nonyl-4-(4-propylcyclohexyl)benzene

C24H40 — CID 20683431

IUPAC1-nonyl-4-(4-propylcyclohexyl)benzene
SMILESCCCCCCCCCc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C24H40/c1-3-5-6-7-8-9-10-12-22-15-19-24(20-16-22)23-17-13-21(11-4-2)14-18-23/h15-16,19-21,23H,3-14,17-18H2,1-2H3
InChIKeyFXZBYKIPWJKELV-UHFFFAOYSA-N
MW328.58 g/mol
LogP8.05
Rot. Bonds11

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

1-nonyl-4-(4-propylcyclohexyl)benzene (PubChem CID 20683431) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-nonyl-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-nonyl-4-(4-propylcyclohexyl)benzene
PubChem CID20683431
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name1-nonyl-4-(4-propylcyclohexyl)benzene
SMILESCCCCCCCCCc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C24H40/c1-3-5-6-7-8-9-10-12-22-15-19-24(20-16-22)23-17-13-21(11-4-2)14-18-23/h15-16,19-21,23H,3-14,17-18H2,1-2H3
InChIKeyFXZBYKIPWJKELV-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 58.05
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-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
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-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-nonyl-4-(4-propylcyclohexyl)benzene (CID 20683431) is 1-nonyl-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-nonyl-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-nonyl-4-(4-propylcyclohexyl)benzene is CCCCCCCCCc1ccc(C2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-nonyl-4-(4-propylcyclohexyl)benzene?
The InChIKey is FXZBYKIPWJKELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-3-5-6-7-8-9-10-12-22-15-19-24(20-16-22)23-17-13-21(11-4-2)14-18-23/h15-16,19-21,23H,3-14,17-18H2,1-2H3.
What are the key properties of 1-nonyl-4-(4-propylcyclohexyl)benzene?
1-nonyl-4-(4-propylcyclohexyl)benzene has a molecular weight of 328.58 g/mol, XLogP of 8.05, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 20683431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).