5-ethyl-2,2,5-trimethyl-1,3-dioxane

C9H18O2 — CID 15363609

IUPAC5-ethyl-2,2,5-trimethyl-1,3-dioxane
SMILESCCC1(C)COC(C)(C)OC1
InChIInChI=1S/C9H18O2/c1-5-9(4)6-10-8(2,3)11-7-9/h5-7H2,1-4H3
InChIKeyASCMNVZPVSEWBB-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds1

About 5-ethyl-2,2,5-trimethyl-1,3-dioxane

5-ethyl-2,2,5-trimethyl-1,3-dioxane (PubChem CID 15363609) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-ethyl-2,2,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2,2,5-trimethyl-1,3-dioxane
PubChem CID15363609
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-ethyl-2,2,5-trimethyl-1,3-dioxane
SMILESCCC1(C)COC(C)(C)OC1
InChIInChI=1S/C9H18O2/c1-5-9(4)6-10-8(2,3)11-7-9/h5-7H2,1-4H3
InChIKeyASCMNVZPVSEWBB-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2,2,5-trimethyl-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

1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-
CID 11816152
2,5,5-Trimethyl-2-propyl-1,3-dioxane
CID 79462
1,3-Dioxane, 5,5-diethyl-
CID 18821
2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-
CID 77843
2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-1-propyl-
CID 198395
1,3-Dioxane, 2,2,5,5-tetramethyl-4-(1-methylethyl)-
CID 112457
1,3-Dioxane, 2-(1,1-dimethylethyl)-2,5,5-trimethyl-
CID 122602
2,2,5,5-Tetramethyl-1,3-dioxane
CID 11040821
5-tert-Butyl-1,3-dioxane
CID 15006018
2,5-Dimethyl-5-(1-((propan-2-yl)oxy)ethyl)-1,3-dioxane
CID 29436
5-(Methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxane
CID 31450
5-Ethyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane
CID 31452

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
The IUPAC name of 5-ethyl-2,2,5-trimethyl-1,3-dioxane (CID 15363609) is 5-ethyl-2,2,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
The canonical SMILES for 5-ethyl-2,2,5-trimethyl-1,3-dioxane is CCC1(C)COC(C)(C)OC1.
What is the InChIKey of 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
The InChIKey is ASCMNVZPVSEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-9(4)6-10-8(2,3)11-7-9/h5-7H2,1-4H3.
What are the key properties of 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
5-ethyl-2,2,5-trimethyl-1,3-dioxane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 15363609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).