2,3-di(propan-2-yl)-1,4-dioxane

C10H20O2 — CID 20593307

IUPAC2,3-di(propan-2-yl)-1,4-dioxane
SMILESCC(C)C1OCCOC1C(C)C
InChIInChI=1S/C10H20O2/c1-7(2)9-10(8(3)4)12-6-5-11-9/h7-10H,5-6H2,1-4H3
InChIKeyZUXGBCSCRWPURM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.08
Rot. Bonds2

About 2,3-di(propan-2-yl)-1,4-dioxane

2,3-di(propan-2-yl)-1,4-dioxane (PubChem CID 20593307) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1,4-dioxane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1,4-dioxane
PubChem CID20593307
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,3-di(propan-2-yl)-1,4-dioxane
SMILESCC(C)C1OCCOC1C(C)C
InChIInChI=1S/C10H20O2/c1-7(2)9-10(8(3)4)12-6-5-11-9/h7-10H,5-6H2,1-4H3
InChIKeyZUXGBCSCRWPURM-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1,4-dioxane?
The IUPAC name of 2,3-di(propan-2-yl)-1,4-dioxane (CID 20593307) is 2,3-di(propan-2-yl)-1,4-dioxane.
What is the SMILES notation for 2,3-di(propan-2-yl)-1,4-dioxane?
The canonical SMILES for 2,3-di(propan-2-yl)-1,4-dioxane is CC(C)C1OCCOC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1,4-dioxane?
The InChIKey is ZUXGBCSCRWPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)9-10(8(3)4)12-6-5-11-9/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-1,4-dioxane?
2,3-di(propan-2-yl)-1,4-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1,4-dioxane is sourced from PubChem (CID 20593307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).