2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane

C14H26O2 — CID 23560940

IUPAC2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
SMILESCCC1CC(CC)C(CC2OCCCO2)C1
InChIInChI=1S/C14H26O2/c1-3-11-8-12(4-2)13(9-11)10-14-15-6-5-7-16-14/h11-14H,3-10H2,1-2H3
InChIKeyUUSKEHMGHYQLFJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.60
Rot. Bonds4

About 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane

2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane (PubChem CID 23560940) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
PubChem CID23560940
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
SMILESCCC1CC(CC)C(CC2OCCCO2)C1
InChIInChI=1S/C14H26O2/c1-3-11-8-12(4-2)13(9-11)10-14-15-6-5-7-16-14/h11-14H,3-10H2,1-2H3
InChIKeyUUSKEHMGHYQLFJ-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,4-diethylcyclopentyl)methyl]-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-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
CID 23560934
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560891
actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560887
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560890
2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
CID 23560936
2-(2-bicyclo[3.3.1]nonanylmethyl)-1,3-dioxane
CID 139405944
2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane
CID 23560999
2-(2,4-diethylcyclopentyl)acetonitrile
CID 167210010
2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
CID 65166473
2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 62550015
1,5-diethyl-2,3-dimethylcyclohexane
CID 557905
4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexan-1-ol
CID 65166209

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane?
The IUPAC name of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane (CID 23560940) is 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane.
What is the SMILES notation for 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane?
The canonical SMILES for 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane is CCC1CC(CC)C(CC2OCCCO2)C1.
What is the InChIKey of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane?
The InChIKey is UUSKEHMGHYQLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-11-8-12(4-2)13(9-11)10-14-15-6-5-7-16-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane?
2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane has a molecular weight of 226.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane is sourced from PubChem (CID 23560940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).