2-tert-butyl-5-propyl-1,3-dioxane

C11H22O2 — CID 152649070

IUPAC2-tert-butyl-5-propyl-1,3-dioxane
SMILESCCCC1COC(C(C)(C)C)OC1
InChIInChI=1S/C11H22O2/c1-5-6-9-7-12-10(13-8-9)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyZHEDPHQYQRYYIW-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds2

About 2-tert-butyl-5-propyl-1,3-dioxane

2-tert-butyl-5-propyl-1,3-dioxane (PubChem CID 152649070) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-tert-butyl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-tert-butyl-5-propyl-1,3-dioxane
PubChem CID152649070
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-tert-butyl-5-propyl-1,3-dioxane
SMILESCCCC1COC(C(C)(C)C)OC1
InChIInChI=1S/C11H22O2/c1-5-6-9-7-12-10(13-8-9)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyZHEDPHQYQRYYIW-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dipropyl-1,3-dioxane
CID 21043213
4-propyldioxolane
CID 174817920
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22910604
CID 59269076
CID 59269076
methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane
CID 157489835
5-propyl-1,3-dioxane
CID 12697738
2-tert-butyl-1,3-dioxan-5-ol
CID 10931729
1,4-dipropylcyclohexane;pentane
CID 90867354
2,5-dipropyloxane
CID 118909754
2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane
CID 157177616
2-(4-chlorocyclohexyl)-5-propyl-1,3-dioxane
CID 70491984
(4-propyloxolan-2-yl)methanol
CID 130129945

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propyl-1,3-dioxane?
The IUPAC name of 2-tert-butyl-5-propyl-1,3-dioxane (CID 152649070) is 2-tert-butyl-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-tert-butyl-5-propyl-1,3-dioxane?
The canonical SMILES for 2-tert-butyl-5-propyl-1,3-dioxane is CCCC1COC(C(C)(C)C)OC1.
What is the InChIKey of 2-tert-butyl-5-propyl-1,3-dioxane?
The InChIKey is ZHEDPHQYQRYYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-6-9-7-12-10(13-8-9)11(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-5-propyl-1,3-dioxane?
2-tert-butyl-5-propyl-1,3-dioxane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propyl-1,3-dioxane is sourced from PubChem (CID 152649070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).