5-propyl-1,3-dioxane

C7H14O2 — CID 12697738

IUPAC5-propyl-1,3-dioxane
SMILESCCCC1COCOC1
InChIInChI=1S/C7H14O2/c1-2-3-7-4-8-6-9-5-7/h7H,2-6H2,1H3
InChIKeyLJTQMZHVPNVFKB-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.41
Rot. Bonds2

About 5-propyl-1,3-dioxane

5-propyl-1,3-dioxane (PubChem CID 12697738) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 5-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-propyl-1,3-dioxane
PubChem CID12697738
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name5-propyl-1,3-dioxane
SMILESCCCC1COCOC1
InChIInChI=1S/C7H14O2/c1-2-3-7-4-8-6-9-5-7/h7H,2-6H2,1H3
InChIKeyLJTQMZHVPNVFKB-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyldioxolane
CID 174817920
6-propyl-1,3,5-trioxepane
CID 139790394
2,5-dipropyl-1,3-dioxane
CID 21043213
2-tert-butyl-5-propyl-1,3-dioxane
CID 152649070
ethane;methane;3-methyl-4-propyloxolane
CID 144611295
3-(2-ethoxyethyl)oxetane
CID 67567831
5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane
CID 167037210
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22910604
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
2-propyl-1,3,5-trioxane
CID 68769940
ethane;propane;propylcyclopropane
CID 145406182
4-propyl-4,5-dihydro-3H-pyrazole
CID 123289792

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,3-dioxane?
The IUPAC name of 5-propyl-1,3-dioxane (CID 12697738) is 5-propyl-1,3-dioxane.
What is the SMILES notation for 5-propyl-1,3-dioxane?
The canonical SMILES for 5-propyl-1,3-dioxane is CCCC1COCOC1.
What is the InChIKey of 5-propyl-1,3-dioxane?
The InChIKey is LJTQMZHVPNVFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-7-4-8-6-9-5-7/h7H,2-6H2,1H3.
What are the key properties of 5-propyl-1,3-dioxane?
5-propyl-1,3-dioxane has a molecular weight of 130.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,3-dioxane is sourced from PubChem (CID 12697738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).