1-(4-heptylcyclohexyl)-4-propylbenzene

C22H36 — CID 14941603

IUPAC1-(4-heptylcyclohexyl)-4-propylbenzene
SMILESCCCCCCCC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C22H36/c1-3-5-6-7-8-10-20-13-17-22(18-14-20)21-15-11-19(9-4-2)12-16-21/h11-12,15-16,20,22H,3-10,13-14,17-18H2,1-2H3
InChIKeyMGQBYPPAJLMSBJ-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.27
Rot. Bonds9

About 1-(4-heptylcyclohexyl)-4-propylbenzene

1-(4-heptylcyclohexyl)-4-propylbenzene (PubChem CID 14941603) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-(4-heptylcyclohexyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(4-heptylcyclohexyl)-4-propylbenzene
PubChem CID14941603
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name1-(4-heptylcyclohexyl)-4-propylbenzene
SMILESCCCCCCCC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C22H36/c1-3-5-6-7-8-10-20-13-17-22(18-14-20)21-15-11-19(9-4-2)12-16-21/h11-12,15-16,20,22H,3-10,13-14,17-18H2,1-2H3
InChIKeyMGQBYPPAJLMSBJ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.27
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-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
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-[4-[3-(4-octylcyclohexyl)propoxy]cyclohexyl]-4-propylbenzene
CID 19739098
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylcyclohexyl)-4-propylbenzene?
The IUPAC name of 1-(4-heptylcyclohexyl)-4-propylbenzene (CID 14941603) is 1-(4-heptylcyclohexyl)-4-propylbenzene.
What is the SMILES notation for 1-(4-heptylcyclohexyl)-4-propylbenzene?
The canonical SMILES for 1-(4-heptylcyclohexyl)-4-propylbenzene is CCCCCCCC1CCC(c2ccc(CCC)cc2)CC1.
What is the InChIKey of 1-(4-heptylcyclohexyl)-4-propylbenzene?
The InChIKey is MGQBYPPAJLMSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-3-5-6-7-8-10-20-13-17-22(18-14-20)21-15-11-19(9-4-2)12-16-21/h11-12,15-16,20,22H,3-10,13-14,17-18H2,1-2H3.
What are the key properties of 1-(4-heptylcyclohexyl)-4-propylbenzene?
1-(4-heptylcyclohexyl)-4-propylbenzene has a molecular weight of 300.53 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylcyclohexyl)-4-propylbenzene is sourced from PubChem (CID 14941603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).