1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

C28H46 — CID 173303525

IUPAC1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCc1ccc(C(C)C2CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C28H46/c1-4-6-7-9-24-10-14-25(15-11-24)22(3)26-18-20-28(21-19-26)27-16-12-23(8-5-2)13-17-27/h10-11,14-15,22-23,26-28H,4-9,12-13,16-21H2,1-3H3
InChIKeySJQDRSIQNAOFNJ-UHFFFAOYSA-N
MW382.68 g/mol
LogP8.94
Rot. Bonds9

About 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 173303525) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID173303525
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Name1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCc1ccc(C(C)C2CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C28H46/c1-4-6-7-9-24-10-14-25(15-11-24)22(3)26-18-20-28(21-19-26)27-16-12-23(8-5-2)13-17-27/h10-11,14-15,22-23,26-28H,4-9,12-13,16-21H2,1-3H3
InChIKeySJQDRSIQNAOFNJ-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene
CID 22089376
1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
CID 19846789
1-[[4-(4-heptylcyclohexyl)cyclohexyl]-[[4-(4-heptylcyclohexyl)cyclohexyl]-(4-propylphenyl)methoxy]methyl]-4-propylbenzene
CID 57252571
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
1-pentyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54166796
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533
1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 19846736
1-isothiocyanato-4-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 88597674

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (CID 173303525) is 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is CCCCCc1ccc(C(C)C2CCC(C3CCC(CCC)CC3)CC2)cc1.
What is the InChIKey of 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is SJQDRSIQNAOFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46/c1-4-6-7-9-24-10-14-25(15-11-24)22(3)26-18-20-28(21-19-26)27-16-12-23(8-5-2)13-17-27/h10-11,14-15,22-23,26-28H,4-9,12-13,16-21H2,1-3H3.
What are the key properties of 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 382.68 g/mol, XLogP of 8.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 173303525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).