3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane

C11H22O2 — CID 57144082

IUPAC3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane
SMILESCCC(C)CC1OCC(C)OC1C
InChIInChI=1S/C11H22O2/c1-5-8(2)6-11-10(4)13-9(3)7-12-11/h8-11H,5-7H2,1-4H3
InChIKeyBNSHHISRRNXCBP-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds3

About 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane

3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane (PubChem CID 57144082) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane
PubChem CID57144082
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane
SMILESCCC(C)CC1OCC(C)OC1C
InChIInChI=1S/C11H22O2/c1-5-8(2)6-11-10(4)13-9(3)7-12-11/h8-11H,5-7H2,1-4H3
InChIKeyBNSHHISRRNXCBP-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2-(2-methylbutyl)-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-Ethylhexyl glycidyl ether
CID 17162
2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
Cyclohexyl 1,2-dimethoxyethane
CID 23183239
2-Methyl-3-propyltetrahydropyran
CID 57486098
(3S,6S)-2,3,4,5,6-pentamethyloxane
CID 59823957
2-(2-((2-Ethylhexyl)oxy)propoxy)ethan-1-ol
CID 87670880
2,2-Dibutyl-1,4-dioxane
CID 90108833
1-(2-Butylbutoxy)propan-2-ol
CID 98029
3-[(1-Methylethoxy)methyl]heptane
CID 3023970
(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
CID 58241360
(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
CID 58241375

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane?
The IUPAC name of 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane (CID 57144082) is 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane.
What is the SMILES notation for 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane?
The canonical SMILES for 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane is CCC(C)CC1OCC(C)OC1C.
What is the InChIKey of 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane?
The InChIKey is BNSHHISRRNXCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-8(2)6-11-10(4)13-9(3)7-12-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane?
3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methylbutyl)-1,4-dioxane is sourced from PubChem (CID 57144082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).