1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane

C26H50 — CID 18597123

IUPAC1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
SMILESCCCCCCC1CCC(C2CCC(CC)(CCCCCC)CC2)CC1
InChIInChI=1S/C26H50/c1-4-7-9-11-13-23-14-16-24(17-15-23)25-18-21-26(6-3,22-19-25)20-12-10-8-5-2/h23-25H,4-22H2,1-3H3
InChIKeyZTQIUZKGEJAMLG-UHFFFAOYSA-N
MW362.69 g/mol
LogP9.32
Rot. Bonds12

About 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane

1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane (PubChem CID 18597123) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
PubChem CID18597123
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
SMILESCCCCCCC1CCC(C2CCC(CC)(CCCCCC)CC2)CC1
InChIInChI=1S/C26H50/c1-4-7-9-11-13-23-14-16-24(17-15-23)25-18-21-26(6-3,22-19-25)20-12-10-8-5-2/h23-25H,4-22H2,1-3H3
InChIKeyZTQIUZKGEJAMLG-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 59.32
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

4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
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
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
4-(4-hexylcyclohexyl)-1-methoxy-1-pentylcyclohexane
CID 18597158
1-nonyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596905
4-(4-decylcyclohexyl)-1-heptylcyclohexane-1-carbonitrile
CID 18596832
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane (CID 18597123) is 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane is CCCCCCC1CCC(C2CCC(CC)(CCCCCC)CC2)CC1.
What is the InChIKey of 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane?
The InChIKey is ZTQIUZKGEJAMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50/c1-4-7-9-11-13-23-14-16-24(17-15-23)25-18-21-26(6-3,22-19-25)20-12-10-8-5-2/h23-25H,4-22H2,1-3H3.
What are the key properties of 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane?
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane has a molecular weight of 362.69 g/mol, XLogP of 9.32, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane is sourced from PubChem (CID 18597123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).