4-tert-butyl-2-ethyl-1,3-dioxane

C10H20O2 — CID 89195446

IUPAC4-tert-butyl-2-ethyl-1,3-dioxane
SMILESCCC1OCCC(C(C)(C)C)O1
InChIInChI=1S/C10H20O2/c1-5-9-11-7-6-8(12-9)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyNXEVVHOWAJMJGT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds1

About 4-tert-butyl-2-ethyl-1,3-dioxane

4-tert-butyl-2-ethyl-1,3-dioxane (PubChem CID 89195446) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-tert-butyl-2-ethyl-1,3-dioxane.

Molecular Properties

Compound Name4-tert-butyl-2-ethyl-1,3-dioxane
PubChem CID89195446
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-tert-butyl-2-ethyl-1,3-dioxane
SMILESCCC1OCCC(C(C)(C)C)O1
InChIInChI=1S/C10H20O2/c1-5-9-11-7-6-8(12-9)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyNXEVVHOWAJMJGT-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 4-tert-butyl-2-ethyl-1,3-dioxane?
The IUPAC name of 4-tert-butyl-2-ethyl-1,3-dioxane (CID 89195446) is 4-tert-butyl-2-ethyl-1,3-dioxane.
What is the SMILES notation for 4-tert-butyl-2-ethyl-1,3-dioxane?
The canonical SMILES for 4-tert-butyl-2-ethyl-1,3-dioxane is CCC1OCCC(C(C)(C)C)O1.
What is the InChIKey of 4-tert-butyl-2-ethyl-1,3-dioxane?
The InChIKey is NXEVVHOWAJMJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-11-7-6-8(12-9)10(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-2-ethyl-1,3-dioxane?
4-tert-butyl-2-ethyl-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethyl-1,3-dioxane is sourced from PubChem (CID 89195446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).