2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane

C23H42O4 — CID 22910567

IUPAC2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
SMILESCCCCCC1COC(CCC2COC(C3CCC(CC)CC3)OC2)OC1
InChIInChI=1S/C23H42O4/c1-3-5-6-7-19-14-24-22(25-15-19)13-10-20-16-26-23(27-17-20)21-11-8-18(4-2)9-12-21/h18-23H,3-17H2,1-2H3
InChIKeyLMCNHEBPTWYLNB-UHFFFAOYSA-N
MW382.59 g/mol
LogP5.54
Rot. Bonds9

About 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane

2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane (PubChem CID 22910567) has the molecular formula C23H42O4 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
PubChem CID22910567
Molecular FormulaC23H42O4
Molecular Weight382.59 g/mol
Exact Mass382.31
IUPAC Name2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
SMILESCCCCCC1COC(CCC2COC(C3CCC(CC)CC3)OC2)OC1
InChIInChI=1S/C23H42O4/c1-3-5-6-7-19-14-24-22(25-15-19)13-10-20-16-26-23(27-17-20)21-11-8-18(4-2)9-12-21/h18-23H,3-17H2,1-2H3
InChIKeyLMCNHEBPTWYLNB-UHFFFAOYSA-N
XLogP5.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane 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

2-(4-butylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane;2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 162195282
2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 54348466
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane
CID 58620696
4-(5-hexyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylic acid
CID 56622965
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
2-butyl-5-ethyl-1,3-dioxane
CID 89076507
5-but-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 57218555
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22910604
5-nonyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-dioxane
CID 150918398
1-butyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carbonitrile
CID 18596616
5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 22910733

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The IUPAC name of 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane (CID 22910567) is 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane is CCCCCC1COC(CCC2COC(C3CCC(CC)CC3)OC2)OC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The InChIKey is LMCNHEBPTWYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O4/c1-3-5-6-7-19-14-24-22(25-15-19)13-10-20-16-26-23(27-17-20)21-11-8-18(4-2)9-12-21/h18-23H,3-17H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane has a molecular weight of 382.59 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 22910567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).