5-butyl-2,2-dipropyl-1,4-dioxane

C14H28O2 — CID 150203019

IUPAC5-butyl-2,2-dipropyl-1,4-dioxane
SMILESCCCCC1COC(CCC)(CCC)CO1
InChIInChI=1S/C14H28O2/c1-4-7-8-13-11-16-14(9-5-2,10-6-3)12-15-13/h13H,4-12H2,1-3H3
InChIKeyFPWULOWHZCUATD-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds7

About 5-butyl-2,2-dipropyl-1,4-dioxane

5-butyl-2,2-dipropyl-1,4-dioxane (PubChem CID 150203019) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-butyl-2,2-dipropyl-1,4-dioxane.

Molecular Properties

Compound Name5-butyl-2,2-dipropyl-1,4-dioxane
PubChem CID150203019
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name5-butyl-2,2-dipropyl-1,4-dioxane
SMILESCCCCC1COC(CCC)(CCC)CO1
InChIInChI=1S/C14H28O2/c1-4-7-8-13-11-16-14(9-5-2,10-6-3)12-15-13/h13H,4-12H2,1-3H3
InChIKeyFPWULOWHZCUATD-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-pentyloxirane
CID 11147691
4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
2-[5,5-bis(octadeca-9,12-dienyl)-1,4-dioxan-2-yl]-N,N-dimethylethanamine
CID 91119319
2-butyloxirane;trimethylsilane
CID 174652516
2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,2-dipropyl-1,4-dioxane?
The IUPAC name of 5-butyl-2,2-dipropyl-1,4-dioxane (CID 150203019) is 5-butyl-2,2-dipropyl-1,4-dioxane.
What is the SMILES notation for 5-butyl-2,2-dipropyl-1,4-dioxane?
The canonical SMILES for 5-butyl-2,2-dipropyl-1,4-dioxane is CCCCC1COC(CCC)(CCC)CO1.
What is the InChIKey of 5-butyl-2,2-dipropyl-1,4-dioxane?
The InChIKey is FPWULOWHZCUATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-7-8-13-11-16-14(9-5-2,10-6-3)12-15-13/h13H,4-12H2,1-3H3.
What are the key properties of 5-butyl-2,2-dipropyl-1,4-dioxane?
5-butyl-2,2-dipropyl-1,4-dioxane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,2-dipropyl-1,4-dioxane is sourced from PubChem (CID 150203019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).