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

C13H26O2 — CID 57050323

IUPAC3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane
SMILESCCC1COC(CCC(C)C)C(CC)O1
InChIInChI=1S/C13H26O2/c1-5-11-9-14-13(8-7-10(3)4)12(6-2)15-11/h10-13H,5-9H2,1-4H3
InChIKeyDAYXHHGJEQJDBP-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.40
Rot. Bonds5

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

3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane (PubChem CID 57050323) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane.

Molecular Properties

Compound Name3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane
PubChem CID57050323
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane
SMILESCCC1COC(CCC(C)C)C(CC)O1
InChIInChI=1S/C13H26O2/c1-5-11-9-14-13(8-7-10(3)4)12(6-2)15-11/h10-13H,5-9H2,1-4H3
InChIKeyDAYXHHGJEQJDBP-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
CID 59873114
tetrakis(2-ethyloxirane);methane
CID 162010408
dimethylsilane;2-ethyloxirane
CID 175208147
butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
CID 19898407
(5S,6S)-6-(3-methylbutyl)oxane-2,5-diol
CID 138718245
4-bromo-2-methyl-3-(3-methylbutyl)oxolane
CID 164656717
2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol
CID 45095328
ethane-1,2-diol;2-ethyloxirane
CID 23290341
4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane
CID 142047920
N-[2-(2-ethylmorpholin-4-yl)propyl]-3-methylbutan-1-amine
CID 62570644
ethane;2-ethyloxirane;hexane
CID 91113410
2-(2-chloropropyl)oxirane
CID 22340851

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane?
The IUPAC name of 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane (CID 57050323) is 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane.
What is the SMILES notation for 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane?
The canonical SMILES for 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane is CCC1COC(CCC(C)C)C(CC)O1.
What is the InChIKey of 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane?
The InChIKey is DAYXHHGJEQJDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-11-9-14-13(8-7-10(3)4)12(6-2)15-11/h10-13H,5-9H2,1-4H3.
What are the key properties of 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane?
3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane has a molecular weight of 214.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-(3-methylbutyl)-1,4-dioxane is sourced from PubChem (CID 57050323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).