2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane

C26H48O — CID 58620696

IUPAC2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane
SMILESCCCCCC1CCC(CCC2CCC(C3CCC(CC)CC3)CC2)OC1
InChIInChI=1S/C26H48O/c1-3-5-6-7-23-13-19-26(27-20-23)18-12-22-10-16-25(17-11-22)24-14-8-21(4-2)9-15-24/h21-26H,3-20H2,1-2H3
InChIKeyNNJMIDBTHUKJDU-UHFFFAOYSA-N
MW376.67 g/mol
LogP8.16
Rot. Bonds9

About 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane (PubChem CID 58620696) has the molecular formula C26H48O and a molecular weight of 376.67 g/mol. Its IUPAC name is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane.

Molecular Properties

Compound Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane
PubChem CID58620696
Molecular FormulaC26H48O
Molecular Weight376.67 g/mol
Exact Mass376.37
IUPAC Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane
SMILESCCCCCC1CCC(CCC2CCC(C3CCC(CC)CC3)CC2)OC1
InChIInChI=1S/C26H48O/c1-3-5-6-7-23-13-19-26(27-20-23)18-12-22-10-16-25(17-11-22)24-14-8-21(4-2)9-15-24/h21-26H,3-20H2,1-2H3
InChIKeyNNJMIDBTHUKJDU-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane 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

ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910567
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
2,5-dipropyloxane
CID 118909754
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
2-(2,2-difluoroethenyl)-5-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane
CID 20599451
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane?
The IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane (CID 58620696) is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane.
What is the SMILES notation for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane?
The canonical SMILES for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane is CCCCCC1CCC(CCC2CCC(C3CCC(CC)CC3)CC2)OC1.
What is the InChIKey of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane?
The InChIKey is NNJMIDBTHUKJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O/c1-3-5-6-7-23-13-19-26(27-20-23)18-12-22-10-16-25(17-11-22)24-14-8-21(4-2)9-15-24/h21-26H,3-20H2,1-2H3.
What are the key properties of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane?
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane has a molecular weight of 376.67 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane is sourced from PubChem (CID 58620696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).