1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene

C30H48 — CID 59931186

IUPAC1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc1
InChIInChI=1S/C30H48/c1-3-4-5-6-24-9-13-26(14-10-24)28-17-21-30(22-18-28)29-19-15-27(16-20-29)25-11-7-23(2)8-12-25/h9-10,13-14,23,25,27-30H,3-8,11-12,15-22H2,1-2H3
InChIKeyHHGNTVUUTKOSBG-UHFFFAOYSA-N
MW408.71 g/mol
LogP9.33
Rot. Bonds7

About 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene

1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene (PubChem CID 59931186) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene.

Molecular Properties

Compound Name1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
PubChem CID59931186
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc1
InChIInChI=1S/C30H48/c1-3-4-5-6-24-9-13-26(14-10-24)28-17-21-30(22-18-28)29-19-15-27(16-20-29)25-11-7-23(2)8-12-25/h9-10,13-14,23,25,27-30H,3-8,11-12,15-22H2,1-2H3
InChIKeyHHGNTVUUTKOSBG-UHFFFAOYSA-N
XLogP9.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.33
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-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(1,1,2,2,2-pentafluoroethyl)-4-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]benzene
CID 141052812
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
CID 18720895
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene?
The IUPAC name of 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene (CID 59931186) is 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene.
What is the SMILES notation for 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene?
The canonical SMILES for 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene is CCCCCc1ccc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene?
The InChIKey is HHGNTVUUTKOSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-3-4-5-6-24-9-13-26(14-10-24)28-17-21-30(22-18-28)29-19-15-27(16-20-29)25-11-7-23(2)8-12-25/h9-10,13-14,23,25,27-30H,3-8,11-12,15-22H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene?
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene has a molecular weight of 408.71 g/mol, XLogP of 9.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene is sourced from PubChem (CID 59931186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).