5-ethyl-2-methyl-4-propyl-1,3-dioxane

C10H20O2 — CID 53424700

IUPAC5-ethyl-2-methyl-4-propyl-1,3-dioxane
SMILESCCCC1OC(C)OCC1CC
InChIInChI=1S/C10H20O2/c1-4-6-10-9(5-2)7-11-8(3)12-10/h8-10H,4-7H2,1-3H3
InChIKeyCPEQHADXYXIWJL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds3

About 5-ethyl-2-methyl-4-propyl-1,3-dioxane

5-ethyl-2-methyl-4-propyl-1,3-dioxane (PubChem CID 53424700) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-propyl-1,3-dioxane
PubChem CID53424700
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-ethyl-2-methyl-4-propyl-1,3-dioxane
SMILESCCCC1OC(C)OCC1CC
InChIInChI=1S/C10H20O2/c1-4-6-10-9(5-2)7-11-8(3)12-10/h8-10H,4-7H2,1-3H3
InChIKeyCPEQHADXYXIWJL-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-propyl-1,3-dioxane?
The IUPAC name of 5-ethyl-2-methyl-4-propyl-1,3-dioxane (CID 53424700) is 5-ethyl-2-methyl-4-propyl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2-methyl-4-propyl-1,3-dioxane?
The canonical SMILES for 5-ethyl-2-methyl-4-propyl-1,3-dioxane is CCCC1OC(C)OCC1CC.
What is the InChIKey of 5-ethyl-2-methyl-4-propyl-1,3-dioxane?
The InChIKey is CPEQHADXYXIWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-10-9(5-2)7-11-8(3)12-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-4-propyl-1,3-dioxane?
5-ethyl-2-methyl-4-propyl-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-propyl-1,3-dioxane is sourced from PubChem (CID 53424700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).