5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane

C14H28O2 — CID 20509706

IUPAC5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane
SMILESCCCC(C)C1OCC(CC)C(CCC)O1
InChIInChI=1S/C14H28O2/c1-5-8-11(4)14-15-10-12(7-3)13(16-14)9-6-2/h11-14H,5-10H2,1-4H3
InChIKeyNMRMTEWQTXXIAV-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.99
Rot. Bonds6

About 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane

5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane (PubChem CID 20509706) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane
PubChem CID20509706
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane
SMILESCCCC(C)C1OCC(CC)C(CCC)O1
InChIInChI=1S/C14H28O2/c1-5-8-11(4)14-15-10-12(7-3)13(16-14)9-6-2/h11-14H,5-10H2,1-4H3
InChIKeyNMRMTEWQTXXIAV-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane?
The IUPAC name of 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane (CID 20509706) is 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane?
The canonical SMILES for 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane is CCCC(C)C1OCC(CC)C(CCC)O1.
What is the InChIKey of 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane?
The InChIKey is NMRMTEWQTXXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-8-11(4)14-15-10-12(7-3)13(16-14)9-6-2/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane?
5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane has a molecular weight of 228.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane is sourced from PubChem (CID 20509706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).