2,5-dipropyl-1,3-dioxane

C10H20O2 — CID 21043213

IUPAC2,5-dipropyl-1,3-dioxane
SMILESCCCC1COC(CCC)OC1
InChIInChI=1S/C10H20O2/c1-3-5-9-7-11-10(6-4-2)12-8-9/h9-10H,3-8H2,1-2H3
InChIKeyYXJVIGQOFPIMNS-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds4

About 2,5-dipropyl-1,3-dioxane

2,5-dipropyl-1,3-dioxane (PubChem CID 21043213) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,5-dipropyl-1,3-dioxane.

Molecular Properties

Compound Name2,5-dipropyl-1,3-dioxane
PubChem CID21043213
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,5-dipropyl-1,3-dioxane
SMILESCCCC1COC(CCC)OC1
InChIInChI=1S/C10H20O2/c1-3-5-9-7-11-10(6-4-2)12-8-9/h9-10H,3-8H2,1-2H3
InChIKeyYXJVIGQOFPIMNS-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-tert-butyl-5-propyl-1,3-dioxane
CID 152649070
4-propyldioxolane
CID 174817920
2-butyl-5-ethyl-1,3-dioxane
CID 89076507
5-propyl-2-[2-(3,4,5-trifluorophenyl)ethyl]-1,3-dioxane
CID 20656959
5-propyl-1,3-dioxane
CID 12697738
2-propyl-1,3,5-trioxane
CID 68769940
2,5-dipropyloxane
CID 118909754
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
2,2,2-trifluoro-1-[[4-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]cyclohexyl]methoxy]ethanol
CID 154530749

Frequently Asked Questions

What is the IUPAC name of 2,5-dipropyl-1,3-dioxane?
The IUPAC name of 2,5-dipropyl-1,3-dioxane (CID 21043213) is 2,5-dipropyl-1,3-dioxane.
What is the SMILES notation for 2,5-dipropyl-1,3-dioxane?
The canonical SMILES for 2,5-dipropyl-1,3-dioxane is CCCC1COC(CCC)OC1.
What is the InChIKey of 2,5-dipropyl-1,3-dioxane?
The InChIKey is YXJVIGQOFPIMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-9-7-11-10(6-4-2)12-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,5-dipropyl-1,3-dioxane?
2,5-dipropyl-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropyl-1,3-dioxane is sourced from PubChem (CID 21043213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).