2-butyl-5-ethyl-1,3-dioxane

C10H20O2 — CID 89076507

IUPAC2-butyl-5-ethyl-1,3-dioxane
SMILESCCCCC1OCC(CC)CO1
InChIInChI=1S/C10H20O2/c1-3-5-6-10-11-7-9(4-2)8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyNTQGEQCKUXPYRG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds4

About 2-butyl-5-ethyl-1,3-dioxane

2-butyl-5-ethyl-1,3-dioxane (PubChem CID 89076507) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-butyl-5-ethyl-1,3-dioxane.

Molecular Properties

Compound Name2-butyl-5-ethyl-1,3-dioxane
PubChem CID89076507
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-butyl-5-ethyl-1,3-dioxane
SMILESCCCCC1OCC(CC)CO1
InChIInChI=1S/C10H20O2/c1-3-5-6-10-11-7-9(4-2)8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyNTQGEQCKUXPYRG-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-butyl-5-propan-2-yl-1,3-dioxane
CID 89076519
2,5-dipropyl-1,3-dioxane
CID 21043213
5-but-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 57218555
2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910567
5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 22910733
2-butyl-4-methoxy-1,3-dioxolane
CID 174705925
2-butyloxirane;trimethylsilane
CID 174652516
CID 59269076
CID 59269076
2-(3-bromopropyl)-1,3-dioxolane;2-butyl-1,3-dioxolane
CID 169430441
(2R)-2-pentyloxirane
CID 11147691
ethane;2-ethyloxirane;hexane
CID 91113410
2-[(4-butylcyclohexyl)methyl]oxirane
CID 174838553

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-ethyl-1,3-dioxane?
The IUPAC name of 2-butyl-5-ethyl-1,3-dioxane (CID 89076507) is 2-butyl-5-ethyl-1,3-dioxane.
What is the SMILES notation for 2-butyl-5-ethyl-1,3-dioxane?
The canonical SMILES for 2-butyl-5-ethyl-1,3-dioxane is CCCCC1OCC(CC)CO1.
What is the InChIKey of 2-butyl-5-ethyl-1,3-dioxane?
The InChIKey is NTQGEQCKUXPYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-6-10-11-7-9(4-2)8-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-butyl-5-ethyl-1,3-dioxane?
2-butyl-5-ethyl-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-butyl-5-ethyl-1,3-dioxane is sourced from PubChem (CID 89076507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).