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

C14H28O2 — CID 129267797

IUPAC2,2-dibutyl-5-ethyl-1,3-dioxane
SMILESCCCCC1(CCCC)OCC(CC)CO1
InChIInChI=1S/C14H28O2/c1-4-7-9-14(10-8-5-2)15-11-13(6-3)12-16-14/h13H,4-12H2,1-3H3
InChIKeyKXBKSJRWPYMKGY-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.14
Rot. Bonds7

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

2,2-dibutyl-5-ethyl-1,3-dioxane (PubChem CID 129267797) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-dibutyl-5-ethyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dibutyl-5-ethyl-1,3-dioxane
PubChem CID129267797
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,2-dibutyl-5-ethyl-1,3-dioxane
SMILESCCCCC1(CCCC)OCC(CC)CO1
InChIInChI=1S/C14H28O2/c1-4-7-9-14(10-8-5-2)15-11-13(6-3)12-16-14/h13H,4-12H2,1-3H3
InChIKeyKXBKSJRWPYMKGY-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dibutyl-5-(iodomethyl)-1,3-dioxane
CID 129239768
2,2,4,4,5-pentabutyl-1,3-dioxane
CID 90108965
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
6-ethyl-4-oxaspiro[2.4]heptane
CID 166857382
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-butyl-2-(3-chloropropyl)-1,3-dioxolane
CID 177295352
(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
CID 142748309
1-[2,2-bis[(9E,12E)-octadeca-9,12-dienyl]-1,3-dioxan-5-yl]-N,N-dimethylmethanamine
CID 45376980
7-ethyl-2,5,9-trioxaspiro[3.5]nonane
CID 89076501
2-[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxan-5-yl]-N-methylethanamine
CID 155439873
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-butyl-5-ethyl-1,3-dioxane
CID 89076507

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-5-ethyl-1,3-dioxane?
The IUPAC name of 2,2-dibutyl-5-ethyl-1,3-dioxane (CID 129267797) is 2,2-dibutyl-5-ethyl-1,3-dioxane.
What is the SMILES notation for 2,2-dibutyl-5-ethyl-1,3-dioxane?
The canonical SMILES for 2,2-dibutyl-5-ethyl-1,3-dioxane is CCCCC1(CCCC)OCC(CC)CO1.
What is the InChIKey of 2,2-dibutyl-5-ethyl-1,3-dioxane?
The InChIKey is KXBKSJRWPYMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-7-9-14(10-8-5-2)15-11-13(6-3)12-16-14/h13H,4-12H2,1-3H3.
What are the key properties of 2,2-dibutyl-5-ethyl-1,3-dioxane?
2,2-dibutyl-5-ethyl-1,3-dioxane has a molecular weight of 228.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-5-ethyl-1,3-dioxane is sourced from PubChem (CID 129267797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).