5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane

C15H30O3 — CID 23369143

IUPAC5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane
SMILESCCCCOCC1(CC)COC(C)(CCC)OC1
InChIInChI=1S/C15H30O3/c1-5-8-10-16-11-15(7-3)12-17-14(4,9-6-2)18-13-15/h5-13H2,1-4H3
InChIKeyLLEACQCEWQMIHR-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.76
Rot. Bonds8

About 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane

5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane (PubChem CID 23369143) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane
PubChem CID23369143
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane
SMILESCCCCOCC1(CC)COC(C)(CCC)OC1
InChIInChI=1S/C15H30O3/c1-5-8-10-16-11-15(7-3)12-17-14(4,9-6-2)18-13-15/h5-13H2,1-4H3
InChIKeyLLEACQCEWQMIHR-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane?
The IUPAC name of 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane (CID 23369143) is 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane.
What is the SMILES notation for 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane?
The canonical SMILES for 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane is CCCCOCC1(CC)COC(C)(CCC)OC1.
What is the InChIKey of 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane?
The InChIKey is LLEACQCEWQMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-8-10-16-11-15(7-3)12-17-14(4,9-6-2)18-13-15/h5-13H2,1-4H3.
What are the key properties of 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane?
5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane has a molecular weight of 258.40 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane is sourced from PubChem (CID 23369143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).