2,2-diethyl-5-methyl-1,4-dioxane

C9H18O2 — CID 151533487

IUPAC2,2-diethyl-5-methyl-1,4-dioxane
SMILESCCC1(CC)COC(C)CO1
InChIInChI=1S/C9H18O2/c1-4-9(5-2)7-10-8(3)6-11-9/h8H,4-7H2,1-3H3
InChIKeyPWYVRDVSHIJHJC-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds2

About 2,2-diethyl-5-methyl-1,4-dioxane

2,2-diethyl-5-methyl-1,4-dioxane (PubChem CID 151533487) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,2-diethyl-5-methyl-1,4-dioxane.

Molecular Properties

Compound Name2,2-diethyl-5-methyl-1,4-dioxane
PubChem CID151533487
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2,2-diethyl-5-methyl-1,4-dioxane
SMILESCCC1(CC)COC(C)CO1
InChIInChI=1S/C9H18O2/c1-4-9(5-2)7-10-8(3)6-11-9/h8H,4-7H2,1-3H3
InChIKeyPWYVRDVSHIJHJC-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-5-methyl-1,4-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

2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 170728203
3-ethyl-3-methyloxetane;methane;2-methyloxirane
CID 161094620
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
5-ethyl-2,5-dimethylmorpholine
CID 22689125
5-butyl-2,2-dipropyl-1,4-dioxane
CID 150203019
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2,2-diethyl-5-methyl-1,3-dioxane
CID 59269402
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
(2S)-2,4-dimethyl-4-propyloxolane
CID 135257246
(2S)-2,5,5-trimethylmorpholine
CID 42303684

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methyl-1,4-dioxane?
The IUPAC name of 2,2-diethyl-5-methyl-1,4-dioxane (CID 151533487) is 2,2-diethyl-5-methyl-1,4-dioxane.
What is the SMILES notation for 2,2-diethyl-5-methyl-1,4-dioxane?
The canonical SMILES for 2,2-diethyl-5-methyl-1,4-dioxane is CCC1(CC)COC(C)CO1.
What is the InChIKey of 2,2-diethyl-5-methyl-1,4-dioxane?
The InChIKey is PWYVRDVSHIJHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(5-2)7-10-8(3)6-11-9/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-diethyl-5-methyl-1,4-dioxane?
2,2-diethyl-5-methyl-1,4-dioxane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methyl-1,4-dioxane is sourced from PubChem (CID 151533487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).