1-hexyl-4-(4-propylcyclohexyl)cyclohexane

C21H40 — CID 19850461

IUPAC1-hexyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCCCCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H40/c1-3-5-6-7-9-19-12-16-21(17-13-19)20-14-10-18(8-4-2)11-15-20/h18-21H,3-17H2,1-2H3
InChIKeyJRIWYQNIMCPHSN-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.37
Rot. Bonds8

About 1-hexyl-4-(4-propylcyclohexyl)cyclohexane

1-hexyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 19850461) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-hexyl-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-hexyl-4-(4-propylcyclohexyl)cyclohexane
PubChem CID19850461
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-hexyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCCCCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H40/c1-3-5-6-7-9-19-12-16-21(17-13-19)20-14-10-18(8-4-2)11-15-20/h18-21H,3-17H2,1-2H3
InChIKeyJRIWYQNIMCPHSN-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.37
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-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-hexyl-4-(4-propylcyclohexyl)cyclohexane (CID 19850461) is 1-hexyl-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-hexyl-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-hexyl-4-(4-propylcyclohexyl)cyclohexane is CCCCCCC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-hexyl-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is JRIWYQNIMCPHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-3-5-6-7-9-19-12-16-21(17-13-19)20-14-10-18(8-4-2)11-15-20/h18-21H,3-17H2,1-2H3.
What are the key properties of 1-hexyl-4-(4-propylcyclohexyl)cyclohexane?
1-hexyl-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 292.55 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 19850461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).